Novel BACE proteins, nucleic acid molecules therefor, novel crystal structure of novel BACE proteins, and methods for making and using

ABSTRACT

Disclosed and claimed are novel BACE proteins, crystal structures thereof, nucleic acid molecules therefor, and methods for making and using and uses of the same, especially for ascertaining inhibitors of BACE; and thus, disclosed and claimed too are inhibitors of BACE and methods of making and using the same.

FIELD OF THE INVENTION

This invention relates generally to structural studies of the soluble Beta-site APP cleaving enzyme (BACE) catalytic domain (e.g., the aspartyl protease domains of BACE) and the corresponding structural information obtained by X-ray crystallography.

Moreover, the present invention relates to any one or more of:

A catalytic domain of BACE, or a form of BACE that is suitable for crystallization with the correct disulphide bonding that eliminates the need for refolding and/or apo-BACE crystals which are BACE crystals with no ligand bound, regardless of the source of the BACE) and/or apo-BACE crystals which are capable of being soaked with ligand to give complexes and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme such as between about pH 5.6 and about pH 5.8 and/or having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å±cell variability of 3 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å±cell variability of 3 Å, and c=62.59 Å or 62.59 Å standard deviation (0.2 Å) or 62.59 Å±cell variability of 3 Å and β=101.32° or 101.32°±standard deviation (0.2°) between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE (e.g., from growth in the presence of OM99-2) or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±cell variability of 3 Å, b=107.4 Å+standard deviation (0.2 Å) or 107.4 Å±cell variability of 3 Å, and c=60.4 Å or 60.4 Å+standard deviation (0.2 Å) or 60.4 Å±cell variability of 3 Å and β=101.89° or 101.89°±standard deviation (0.2°) or between 101° and 108° (e.g., from crystals grown in the absence of OM99-2) and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing;

Apo-BACE crystals that can be soaked, e.g., with ligands such as inhibitory or modulatory ligands, to give complexes, such as protein-ligand complexes;

A crystalline form of BACE or a BACE that has an active site containing one or more ligands other than the natural substrate or the substrate that occurs naturally or physiologically within the active site or apo-BACE crystals with no ligand bound, regardless of the source of the BACE; for instance, for use in rational drug design, as well as methods for ligand screening and design by X-ray crystallography;

BACE proteins comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain, advantageously amino acid sequences that crystallize to the crystalline structure or a structure that mimics the crystalline structure (included in the term “BACE proteins”)—such as those, when compared with other BACE proteins (such as Genbank accession P56817) have one or more of: a mutation at amino acid (“aa”) 153 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, a mutation at aa 172 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, a mutation at aa 223 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, a mutation at aa 354 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and one or more truncations (e.g., a BACE extending from Thr 22 to Ser 453)—whereby such proteins can also optionally include one or more of: a tag such as a His tag (e.g., a HIS₆ tag) for instance to facilitate purification; a non-BACE signal sequence to facilitate or increase secretion of the protein into cell culture medium such as a baculovirus signal sequence for example the baculovirus gp67 signal sequence; and a tag such as a FLAG tag to allow differentiation of species arising from incomplete pro-peptide cleavage (and separation if required);

BACE proteins that have one or more mutations to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals, such as with reference to Genbank accession P56817: a mutation at amino acid (“aa”) 153 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and/or a mutation at aa 172 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and/or a mutation at aa 223 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and/or a mutation at aa 354 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and one or more truncations (e.g., a BACE extending from Thr 22 to Ser 453);

BACE proteins that include one or more of: a tag such as a His tag (e.g., a HIS₆ tag) for instance to facilitate purification; a non-BACE signal sequence to facilitate or increase secretion of the protein into cell culture medium such as a baculovirus signal sequence for example the baculovirus gp67 signal sequence; and a tag such as a FLAG tag to allow differentiation of species arising from incomplete pro-peptide cleavage (and separation if required);

One or more nucleic acid molecules (e.g., an isolated nucleic acid molecule) encoding the BACE proteins or at least a functional portion thereof including any of the foregoing proteins and/or amino acid sequences and/or gene products comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain, advantageously amino acid sequences that crystallize to the crystalline structure or a structure that mimics the crystalline structure including those having reduced GC content via silent mutations from nucleotide sequences derived from wild-type BACE that would also encode the foregoing;

Vectors or cells (e.g., viral vectors such as baculovirus, bacterial vectors such as E. coli, mammalian cells such as CHO cells, or DNA plasmids) containing and/or expressing any one or more of the nucleic acid molecules and/or BACE proteins—the latter can include prior BACE proteins especially when there is co-expression thereof with a gene product—an enhancer—that enhances in the particular vector or cell system the total amount of BACE produced and/or increases the fraction of processed protein such as an enzyme, for instance a convertase or a transcription enhancer or a translation enhancer or both a transcription and translation enhancer, for instance a prohormone convertase such as the prohormone convertase furin especially when the vector or cell system is baculovirus and/or insect cells, and thus also vectors or cells containing and/or expressing the nucleic acid molecules and/or BACE proteins and a nucleic acid molecule encoding the enhancer as well as kits containing separately packaged isolated nucleic acid molecules for such co-expression, e.g., a kit containing separately packaged nucleic acid molecules comprising (i) a BACE-protein encoding nucleic acid molecule and (ii) a nucleic acid molecule encoding the enhancer, for use in vectors or cells for the co-expression thereof;

Expression through or by vectors or cells of that which is encoded by the nucleic acid molecules and/or contained in the aforementioned vectors or cells and/or of the gene products and/or the amino acid sequences and/or the BACE proteins, including co-expression thereof, or of other nucleic acid molecules encoding BACE proteins, with a gene product that enhances in the particular vector or cell system the total amount of BACE produced and/or increases the fraction of processed protein such as an enzyme, e.g., a convertase, for instance a prohormone convertase such as the prohormone convertase furin especially when the vector or cell system is baculovirus and/or insect cells;

Methods for crystallizing BACE proteins and/or amino acid sequences and/or gene products comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain;

Methods for determining the crystal structure of BACE proteins and/or amino acid sequences and/or gene products comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain;

Uses of that which is encoded by the nucleic acid molecules and/or the gene products and/or the amino acid sequences and/or the BACE proteins, for instance in screening assays such as drug or patient screening assays or in generating products therefor (such as for generating antibodies to the catalytic domain and/or to BACE proteins which are useful in such assays), as well as such assays and products therefor, and uses of the nucleic acid molecules, vectors or cells, methods and/or the aforementioned expression via vectors or cells, for preparing such uses or assays and/or components for such uses or assays;

Products from such assays (“assay products”), as well as uses of the nucleic acid molecules, vectors or cells, methods and/or the aforementioned expression via vectors or cells for preparing such assay products and/or components for such assay products;

Inhibitors or modulators of BACE and/or inhibitors or modulators of the production of Aβ or fragments thereof for instance, such inhibitors or modulators as determined through the assays of the present invention and/or through contact with and binding to or otherwise inhibiting or modulating BACE proteins of the present invention, such as a compound or composition which binds to and/or inhibits and/or modulates and/or interacts with a form of BACE that is suitable for crystallization with the correct disulphide bonding that eliminates the need for refolding and/or having an unoccupied or substantially unoccupied active site and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme such as between about pH 5.6 and about pH 5.8 and/or having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å±cell variability of 3 Å, b=105.02 Å or 105.02 Å+standard deviation (0.2 Å) or 105.02 Å±cell variability of 3 Å, and c=62.59 Å or 62.59 Å+standard deviation (0.2 Å) or 62.59 Å±cell variability of 3 Å and 1101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE (e.g., from growth in the presence of OM99-2) or cell dimensions a=238.3 Å or 238.3 Å+standard deviation (0.2 Å) or 238.3 Å±cell variability of 3 Å, b=107.4 Å±standard deviation (0.2 Å) or 107.4 Å±cell variability of 3 Å, and c=60.4 Å or 60.4 Å±standard deviation (0.2 Å) or 60.4 Å±cell variability of 3 Å and β=101.89° or 101.89°±standard deviation (0.2°) or between 101° and 108° (e.g., from crystals grown in the absence of OM99-2) and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing (excluding, of course, prior known inhibitors, modulators, if any, of BACE and/or inhibitors, modulators of the production of Aβ or fragments thereof);

Uses of such assay products and/or inhibitors and/or modulators, for instance in treating maladies, conditions, diseases and the like such as Alzheimer's disease (AD) involving BACE activity and/or Aβ or fragments thereof and/or in formulating medicaments for such treatments, as well as of uses of the nucleic acid molecules, vectors or cells, the methods and/or the aforementioned expression via vectors or cells, for such treatment and/or a component thereof and/or for preparing such medicaments and/or a component thereof, such that methods for preparing such medicaments including use of any of the foregoing is included, inter alia.

And a data storage medium encoded with the structural co-ordinates of crystallized BACE or at least a functional portion thereof. Such data storage material is capable of displaying such structures, or their structural homologues, as a graphical three-dimensional representation on a computer screen. This invention also relates to methods of using the structure co-ordinates to solve the structure of similar or homologous proteins or protein complexes. In addition, this invention relates to methods of using structure co-ordinates to screen and design compounds, including inhibitory compounds, that bind to BACE or homologues thereof. The present invention also relates to compositions and crystals of BACE in complex with a BACE inhibitor. Cf. WO 01/37194.

Various documents are cited in this text. Citations in the text can be by way of a citation to a document in the reference list, e.g., by way of author(s) and document year citation to a document listed in the reference list, or by full citation in the text to a document that may or may not also be listed in the reference list.

There is no admission that any of the various documents cited in this text are prior art as to the present invention. Any document having as an author or inventor person or persons named as an inventor herein is a document that is not by another as to the inventive entity herein.

All documents cited in this text (“herein cited documents”) and all documents cited or referenced in herein cited documents are hereby incorporated herein by reference. Likewise, teachings of herein cited documents and documents cited in herein cited documents can be employed in the practice and utilities of the present invention.

BACKGROUND OF THE INVENTION

Alzheimer's disease (AD) is estimated to afflict more than 20 million people worldwide and is believed to be the most common form of dementia (Newsday (New York), Friday, Jul. 6, 2001, City Edition, page A24). AD is a progressive dementia characterized by amyloid plaques and intracellular neurofibrillary tangles that accumulate in the brain and are thought to be responsible for the mental decline in Alzheimer's patients.

Beta-amyloid protein (Aβ) is the major constituent of the amyloid plaques, which are characteristic of AD (De Strooper and Konig, 1999).

Aβ is a 39-42 amino acid residue peptide formed by the specific cleavage of a class I transmembrane protein called the amyloid precursor protein (APP) by two proteases, β- and γ-secretase (the Aβ fragment).

β-secretase cleaves APP between residues Met671 and Asp672 (numbering corresponds to the 770 amino acid isoform of APP) to form the N-terminus of Aβ. A second cleavage of the peptide is associated with γ-secretase to form the C-terminus of the Aβ peptide. β and γ-secretases cleave the amino and carboxy terminal ends of the Aβ domain, respectively. A third enzyme, α-secretase, has recently been identified which cleaves APP within the Aβ domain between residues 16 and 17 of the Aβ fragment (Howlett et al., 2000).

The therapeutic potential of inhibiting and/or modulating the deposition of Aβ has motivated many groups to isolate and characterize secretase enzymes and to identify their potential inhibitors (see, e.g., WO01/23533 A2, EP0855444A2, WO00/17369, WO00/58479, WO00/47618, WO01/00665; WO01/00663; U.S. Pat. No. 6,245,884 (Hook), U.S. Pat. No. 6,221,667 (Reiner et al.), U.S. Pat. No. 6,211,235 (Wu et al.)). Indeed, it also has been reported in the popular press that “[d]rug makers are studying medicines called gamma-secretase inhibitors, which aim to block the cleavage process” (Newsday (New York), Friday, Jul. 6, 2001, City Edition, page A24).

Consequently, a number of potential candidates for these enzymes have recently been reported in the literature: Several groups have identified and isolated aspartate proteases that have β-secretase activity (Hussain et al., 1999; Lin et. al, 2000; Yan et. al, 1999; Sinha et. al., 1999 and Vassar et. al., 1999). β-secretase is also known in the literature as Asp2 (Yan et. al, 1999), Beta site APP Cleaving Enzyme (BACE) (Vassar et. al., 1999) or memapsin-2 (Lin et al., 2000).

BACE was identified using a number of experimental approaches such as EST database analysis (Hussain et al. 1999); expression cloning (Vassar et al. 1999); identification of human homologs from public databases of predicted C. elegans proteins (Yan et al. 1999) and finally utilizing an inhibitor to purify the protein from human brain (Sinha et al. 1999). Thus, five groups employing three different experimental approaches has led to the identification of the same enzyme, making a strong case that BACE is a β-secretase. Mention is also made of the patent literature: WO91/13904, EP518955, EP732399, WO92/03542, WO92/07068, WO96/40885, EP87/1720, U.S. Pat. Nos. 5,942,400 and 5,744,346, EP855444, EP1037977, WO00/17369, WO01/23533, WO0047618, WO00/58479, WO01/00663, WO01/00665, EP848062, U.S. Pat. Nos. 6,025,180 and 6,162,639, EP1047788 and WO99/33963, WO99/46281, WO98/11236, U.S. Pat. No. 5,942,400 and WO94/13319.

Indeed, BACE is a membrane bound protein which is synthesized as a partially active proenzyme, and is most abundantly expressed in brain tissue. It is thought to represent the major β-secretase activity.

BACE activity may be considered to be a rate-limiting step in the production of Aβ. This makes BACE of special interest in the pathology of Alzheimer's disease and other maladies that involve Aβ, or fragments thereof (e.g., amyloid plaques and amyloid angiopathy also characterize the brains of individuals with Trisomy 21 or Down's Syndrome, Hereditary Cerebral Hemorrhage with Amyloidosis of the Dutch Type (HCHWA-D), inter alia; see also U.S. Pat. No. 6,211,235), and therefore an important candidate for the development of drugs as a treatment against Alzheimer's disease and/or against such other maladies.

Furthermore, as reported in the popular press, Newsday (New York), Friday, Jul. 6, 2001, City Edition, page A24, that day's edition of Science includes in vitro findings by investigator Thomas Sudhof of the Howard Hughes Medical Institute which suggest that gamma secretase may be implicated in another function, but that it is not known if those findings apply to humans or which genes may be involved. Nonetheless, inhibiting gamma secretase may have issues which are addressed by the present invention involving inhibiting BACE the production of Aβ or fragments thereof.

The likelihood of developing Alzheimer's disease increases with age, and as the aging population of the world increases, this disease may become a greater and greater problem. In addition, there is a familial link to AD and consequently any individuals possessing the double mutation of APP known as the Swedish mutation (in which the mutated APP forms a considerably improved substrate for BACE) have a much greater chance of developing AD and also of developing it at an early age (see also U.S. Pat. No. 6,245,964 pertaining to transgenic rodent comprising APP-Swedish).

It would therefore be useful to inhibit and/or modulate the deposition of Aβ and portions thereof; for instance by inhibiting and/or modulating BACE proteins through inhibitors or modulators thereof ascertained from BACE proteins having a particular crystal structure or having a structure as herein set forth.

Hence, drugs that reduce or block BACE activity would reduce Aβ levels and levels of fragments of Aβ in the brain or elsewhere where Aβ or fragments thereof deposit and thus slow the formation of amyloid plaques and the progression of AD or other maladies involving deposition of Aβ or fragments thereof (Yankner, 1996; De Strooper and Konig, 1999).

Further, reaction systems comprising Beta secretase have been asserted to be useful in screening assays, e.g., to identify inhibitors or modulators and antibodies raised against Beta-secretase have been asserted to be useful for screening and other assays; see, e.g., U.S. Pat. No. 6,221,645 and other documents cited herein; and thus, the present invention is likewise useful in such assays in generating antibodies.

There has been the production of certain active recombinant BACEs—different from those of the herein invention—using heterologous expression systems for mammalian cells (Vassar et al, 1999, Hassain et al, 1999), insect cells (Mallender et al, 2001) and bacterial cells (Lin et al 2000). While the production of these BACEs shows that no undue experimentation is needed to practice the present invention, these prior systems had deficiencies addressed by the herein invention.

Indeed, prior to the present invention there was a need to produce a soluble recombinant BACE protein with an improved crystal structure that is suitable for crystallization with the correct disulphide bonding that eliminates the need for refolding and/or having an unoccupied or substantially unoccupied active site and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme such as between about pH 5.6 and about pH 5.8 and/or having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å±cell variability of 3 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å±cell variability of 3 Å, and c=62.59 Å or 62.59 Å±standard deviation (0.2 Å) or 62.59 Å±cell variability of 3 Å and β=101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE (e.g., from growth in the presence of OM99-2) or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±cell variability of 3 Å, b=107.4 Å±standard deviation (0.2 Å) or 107.4 Å±cell variability of 3 Å, and c=60.4 Å or 60.4 Å±standard deviation (0.2 Å) or 60.4 Å±cell variability of 3 Å and β=101.89° or 101.89°±standard deviation (0.2°) or between 101° and 108° (e.g., from crystals grown in the absence of OM99-2), as well as amino acid sequences therefor, nucleic acid molecules encoding them, and other aspects of the present invention as herein discussed.

In addition, the study of crystal structure and symmetry is developed (See, e.g., Cotton and Wilkinson, Inorganic Chemistry (John Wiley & Sons, Fourth Ed. 1980), especially Ch. 2). X-ray crystallography, or more generally crystallography, is an established, well-studied technique that provides what can best be described as a three-dimensional picture of what a molecule looks like in a crystal, and is useful for determining whether a compound that is not a known ligand of a target biomolecule can indeed bind as a ligand to a target biomolecule (see, e.g., WO 99/45379; U.S. Pat. No. 6,087,478; U.S. Pat. No. 6,110,672); and, there are additional techniques for identifying drug cores (see, e.g., WO 98/57155 regarding fragment-based screening). Mention is also made of U.S. Pat. Nos. 6,128,582, 6,153,579, 6,077,682, and 6,037,117 and PCT publications WO01/37194 and WO00/47763 for additional information on aspects of structure-based drug design and homology modelling.

These techniques can be employed with the herein disclosed BACE crystals and proteins, especially those that are without any ligands typically found in wild-type BACE, to rationally design compounds that inhibit or modulate, e.g., bind to or interact with BACE; and, the use of these techniques, in combination with herein disclosed BACE crystals and proteins it is believed has not been heretofore taught or suggested in the art.

OBJECTS AND SUMMARY OF THE INVENTION

Without excluding inventions otherwise herein disclosed, the present invention can provide one or more of the following embodiments.

The present invention in an embodiment provides a catalytic domain of BACE, such as a form of BACE that is suitable for crystallization with the correct disulphide bonding that eliminates the need for refolding and/or a BACE protein having an unoccupied or substantially unoccupied active site (apo-BACE crystals with no ligand bound, regardless of the source of the BACE) and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme such as between about pH 5.6 and about pH 5.8 and/or having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å±cell variability of 3 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å±cell variability of 3 Å, and c=62.59 Å or 62.59 Å±standard deviation (0.2 Å) or 62.59 Å±cell variability of 3 Å and β=101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE (e.g., from growth in the presence of OM99-2) or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±cell variability of 3 Å, b=107.4 Å or 107.4 Å±standard deviation (0.2 Å) or 107.4 Å±cell variability of 3 Å, and c=60.4 Å or 60.4 Å±standard deviation (0.2 Å) or 60.4 Å±cell variability of 3 Å and β=101.89° or 101.89°±standard deviation (0.2°) or between 101° and 108° (e.g., from crystals grown in the absence of OM99-2) and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing and/or having a space group transition from C2 to P2₁ together with an increase in the number of copies of the molecule in the asymmetric unit, while the cell dimensions and the packing of the P2₁ form are closely related to those of the C2 crystal form, on soaking the apo-BACE crystal with a ligand.

The present invention likewise provides apo-BACE crystals that can be soaked, e.g., with ligands such as inhibitory or modulatory ligands, to give complexes, such as protein-ligand complexes.

The present invention in another embodiment provides a crystalline form of BACE or a BACE that has an active site containing one or more ligands other than the natural substrate or the substrate that occurs naturally or physiologically within the active site or apo-BACE crystals with no ligand bound, regardless of the source of the BACE; for instance, for use in rational drug design, as well as methods for ligand screening and design by X-ray crystallography.

In regard to this, the invention further provides a method for ligand screening and/or design, e.g., by X-ray crystallography and/or nuclear magnetic resonance (NMR). The method can include exposing the apo crystals or BACE crystals with no ligand bound (i.e., with an unoccupied active site, regardless of the source of the BACE) to one or more test samples, and determining whether a ligand-BACE complex is formed, e.g., obtaining an X-ray crystal diffraction pattern to determine whether a ligand-BACE complex is formed or using NMR to determine whether such a complex is formed. The BACE can be exposed to the test samples by either co-crystallizing the BACE in the presence of the one or more test samples or soaking the BACE in a solution of one or more test samples. Structural information from ligand-BACE complexes can be used to design ligands that bind tighter, that bind more specifically, that have better biological activity or have a better safety profile. Cf. WO99/45379.

The present invention thus further provides a computer-assisted method for identifying or designing potential ligands to fit within the catalytic domain of BACE, using a programmed computer comprising a processor, a data storage system, an input device, and an output device, comprising the steps of: (a) inputting into the programmed computer through said input device data comprising the three-dimensional co-ordinates of a subset of the atoms in the BACE catalytic domain, e.g., BACE protein as herein provided and/or such information with structural information from ligand-BACE complexes, thereby generating a data set; (b) comparing, using said processor, said data set to a computer database of chemical structures stored in said computer data storage system; (c) selecting from said database, using computer methods, chemical structures having a portion that is structurally complementary to said data set; (d) optionally constructing, using computer methods, a model of a chemical structure having a portion that is structurally complementary to said data set and (e) outputting to said output device the selected chemical structures having a portion complementary to said data set; and optionally synthesizing one or more of the selected chemical structures; and further optionally contacting said synthesized selected chemical structure with BACE to ascertain whether said synthesized chemical structure is a ligand that fits within the catalytic domain of BACE and/or inhibits or modulates or interacts with BACE. Cf. U.S. Pat. No. 5,835,382.

In this way, one can rationally identify and/or design inhibitors or modulators of BACE or compounds that interact with BACE. And, in this regard, mention is made that the skilled artisan can employ the products found in the wild-type BACE catalytic domain as a portion of the information to be inputted or employed in the rational design and/or identification of inhibitors or modulators of BACE or compounds that interact with BACE. Furthermore, an inhibitor of BACE can be competitive, non-competitive, uncompetitive, or irreversible; and, inhibitors of BACE are of significant technical and commercial interest.

The present invention also provides BACE proteins comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain, advantageously amino acid sequences that crystallize to the crystalline structure or a structure that mimics the crystalline structure (included in the term “BACE proteins”)—such as those, when compared with other BACE proteins (such as Genbank accession P56817) have one or more of: a mutation at amino acid (“aa”) 153 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, a mutation at aa 172 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, a mutation at aa 223 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, a mutation at aa 354 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and one or more truncations (e.g., a BACE extending from Thr 22 to Ser 453)—whereby such proteins can also optionally include one or more of: a tag such as a His tag (e.g., a HIS6 tag) for instance to facilitate purification (cf. U.S. Pat. No. 6,020,143); a non-BACE signal sequence to facilitate or increase secretion of the protein into cell culture medium such as a baculovirus signal sequence for example the baculovirus gp67 signal sequence (cf. U.S. Pat. Nos. 6,245,532, 5,516,657); and a tag such as a HA or FLAG tag to allow differentiation of species arising from incomplete pro-peptide cleavage (and separation if required) (cf. U.S. Pat. Nos. 6,190,874, 6,083,732).

The present invention thus further provides BACE proteins that have one or more mutations to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals, such as with reference to Genbank accession P56817: a mutation at amino acid (“aa”) 153 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and/or a mutation at aa 172 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and/or a mutation at aa 223 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and/or a mutation at aa 354 for instance to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals such as asparagine to glutamine, and one or more truncations (e.g., a BACE extending from Thr 22 to Ser 453).

Advantageously, the BACE protein has all four of the mutations and the truncation.

The present invention additionally provides BACE proteins that include one or more of: a tag such as a His tag (e.g., a HIS₆ tag) for instance to facilitate purification; a non-BACE signal sequence to facilitate or increase secretion of the protein into cell culture medium such as a baculovirus signal sequence for example the baculovirus gp67 signal sequence; and a tag such as a FLAG tag to allow differentiation of species arising from incomplete pro-peptide cleavage (and separation if required).

Even further still, the present invention provides one or more nucleic acid molecules (e.g., an isolated nucleic acid molecule) encoding the BACE proteins or at least a functional portion thereof including any of the foregoing proteins and/or amino acid sequences and/or gene products comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain, advantageously amino acid sequences that crystallize to the crystalline structure or a structure that mimics the crystalline structure including those having reduced GC content via silent mutations from nucleotide sequences derived from wild-type BACE that would also encode the foregoing.

In yet further embodiments, the present invention provides vectors or cells (e.g., viral vectors such as baculovirus, bacterial vectors such as E. coli, mammalian cells such as CHO cells, or DNA plasmids) containing and/or expressing any one or more of the nucleic acid molecules and/or BACE proteins—the latter can include prior BACE proteins especially when there is co-expression thereof with a gene product—an enhancer—that enhances in the particular vector or cell system, the total amount of BACE produced and/or increases the fraction of processed protein such as an enzyme e.g., a convertase, or a transcription enhancer or a translation enhancer or both a transcription and translation enhancer (cf. U.S. Pat. Nos. 6,130,066, 6,004,777, 5,990,091), for instance a prohormone convertase such as the prohormone convertase furin (cf. Laprise et al. 1998) when the vector or cell system is baculovirus and/or insect cells, and thus also vectors or cells containing and/or expressing the nucleic acid molecules and/or BACE proteins and a nucleic acid molecule encoding the enhancer as well as kits containing separately packaged isolated nucleic acid molecules for such co-expression, e.g., a kit containing separately packaged nucleic acid molecules comprising (i) a BACE-protein encoding nucleic acid molecule and (ii) a nucleic acid molecule encoding the enhancer, for use in vectors or cells for the co-expression thereof;

The invention thus also provides expression through or by vectors or cells of that which is encoded by the nucleic acid molecules and/or contained in the aforementioned vectors or cells and/or of the gene products and/or the amino acid sequences and/or the BACE proteins, including co-expression thereof, or of other nucleic acid molecules encoding BACE proteins, with a gene product that enhances in the particular vector or cell system the total amount of BACE produced and/or increases the fraction of processed protein such as an enzyme, e.g., a convertase, for instance a prohormone convertase such as the prohormone convertase furin especially when the vector or cell system is baculovirus and/or insect cells.

As the invention involves a unique crystal structure of BACE, the invention provides methods for crystallizing BACE proteins and/or amino acid sequences and/or gene products comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain.

Similarly, the invention provides methods for determining the crystal structure of BACE proteins and/or amino acid sequences and/or gene products comprising, containing, having, consisting essentially of and/or consisting of amino acid sequences of the catalytic domain.

The invention further contemplates uses of that which is encoded by the nucleic acid molecules and/or the gene products and/or the amino acid sequences and/or the BACE proteins, for instance in screening assays such as drug or patient screening assays or in generating products therefor (such as for generating antibodies to the catalytic domain and/or to BACE proteins which are useful in such assays), as well as such assays and products therefor, and uses of the nucleic acid molecules, vectors or cells, methods and/or the aforementioned expression via vectors or cells, for preparing such uses or assays and/or components for such uses or assays.

Included within the ambit of the present invention are products from such assays (“assay products”), as well as uses of the nucleic acid molecules, vectors or cells, methods and/or the aforementioned expression via vectors or cells for preparing such assay products and/or components for such assay products.

The BACE protein of the present invention may be employed in screening for compounds which inhibit or modulate or activate or interact with this protein. Such compounds may be identified from cells or cell fractions, mixtures of natural products or chemical libraries.

The assay may comprise mixing the BACE polypeptide of the invention with a candidate compound in solution and measuring BACE activity in the mixture. It may also be advantageous to measure binding of the compound to the BACE polypeptide (or competition with binding of a known inhibitor) instead of an effect on enzyme activity. Alternatively, versions of the BACE protein containing the transmembrane region may be expressed in cells, and these cells (or membranes prepared from these cells) may be incubated with candidate compounds. The effect on BACE activity may then be assessed by measurement of cleavage of a suitable substrate, either added to the mixture or co-expressed in the cells.

The protein or antibodies to the protein may also be used to identify receptors, through standard techniques. These include, but are not limited to, ligand binding or cross-linking assays in which the BACE protein is labeled and contacted with a source of the putative receptor, and biophysical techniques such as surface plasmon resonance.

The present invention even further contemplates inhibitors or modulators of BACE or compounds or compositions that interact with BACE and/or inhibitors or modulators of the production of Aβ or fragments thereof, for instance, such inhibitors as determined through the assays of the present invention and/or through contact with and binding to or otherwise interacting with, inhibiting or modulating BACE proteins of the present invention, such as a compound or composition or ligand which binds to and/or inhibits and/or interacts with and/or modulates a form of BACE that is suitable for crystallization with the correct disulphide bonding that eliminates the need for refolding and/or having an unoccupied or substantially unoccupied active site and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme such as between about pH 5.6 and about pH 5.8 and/or having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å±cell variability of 3 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å±cell variability of 3 Å, and c=62.59 Å or 62.59 Å±standard deviation (0.2 Å) or 62.59 Å±cell variability of 3 Å and β=101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE (e.g., from growth in the presence of OM99-2) or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±cell variability of 3 Å, b=107.4 Å±standard deviation (0.2 Å) or 107.4 Å±cell variability of 3 Å and c=60.4 Å or 60.4 Å+standard deviation (0.2 Å) or 60.4 Å±cell variability of 3 Å and β=101.89°, or 101.89°±standard deviation (0.2°) or between 101° and 108° (e.g., from crystals grown in the absence of OM99-2) and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing (excluding, of course, prior known inhibitors and modulators of BACE and/or inhibitors or modulators of the production of Aβ or fragments thereof).

And, the present invention provides uses of such assay products and/or inhibitors and/or modulators and/or ligands, and/or compositions or compounds that interact with BACE, for instance in treating maladies, conditions, diseases and the like such as Alzheimer's disease (AD) involving BACE activity and/or Aβ or fragments thereof and/or in formulating medicaments for such treatments, as well as of uses of the nucleic acid molecules, vectors or cells, the methods and/or the aforementioned expression via vectors or cells, for such treatment and/or a component thereof and/or for preparing such medicaments and/or a component thereof, such that methods for preparing such medicaments including use of any of the foregoing is included.

In a further embodiment, the present invention provides a Beta-site APP cleaving enzyme which comprises an amino acid sequence of SEQ ID NO: 5; advantageously, the amino acid sequence comprises a catalytic domain, and wherein the enzyme is in a crystalline form, such as herein defined.

In another embodiment the recombinant Beta-site APP cleaving enzyme comprises an amino acid sequence of SEQ ID NO: 5 (FIGS. 1B, 2A, 8), as well as nucleic acid molecules encoding such an enzyme; for instance, a nucleic acid molecule comprising a sequence of SEQ ID NO: 4 or 10 (FIGS. 1A, 2B, 7).

More in particular, with respect to the herein mentioned nucleic acid molecules and polypeptides therefrom, e.g., the aforementioned nucleic acid molecules (FIGS. 2B, 7) and polypeptides expressed from them (FIGS. 2A, 8), the invention further comprehends isolated and/or purified nucleic acid molecules and isolated and/or purified polypeptides having at least about 70%, preferably at least about 75% or about 77% identity or homology (“substantially homologous or identical”), advantageously at least about 80% or about 83%, such as at least about 85% or about 87% homology or identity (“significantly homologous or identical”), for instance at least about 90% or about 93% identity or homology (“highly homologous or identical”), more advantageously at least about 95%, e.g., at least about 97%, about 98%, about 99% or even about 100% identity or homology (“very highly homologous or identical” to “identical”; or from about 84-100% identity considered “highly conserved”); and advantageously these polypeptides obtain crystal structures as herein disclosed and the nucleic acid molecules encode polypeptides that obtain crystal structures as herein disclosed. Moreover, it is advantageous that polypeptides of the invention have greater than 98.8% identity to herein disclosed sequences, and that nucleic acid molecules of the invention have greater than 95.6% identity to herein disclosed sequences, especially as certain amino acid sequences of the invention have 98.8% identity to sequence 32 of WO01/23533 and certain nucleic acid molecules of the invention have 95.6% identity to sequence 25 of WO01/23533 (and it is intended to exclude any prior sequences). The invention also comprehends that these nucleic acid molecules and polypeptides can be used in the same fashion as the herein or aforementioned nucleic acid molecules and polypeptides.

Nucleotide sequence homology can be determined using the “Align” program of Myers and Miller, (“Optimal Alignments in Linear Space”, CABIOS 4, 11-17, 1988, incorporated herein by reference) and available at NCBI. Alternatively or additionally, the term “homology” or “identity”, for instance, with respect to a nucleotide or amino acid sequence, can indicate a quantitative measure of homology between two sequences. The percent sequence homology can be calculated as (N_(ref)−N_(dif))*100/N_(ref), wherein N_(dif) is the total number of non-identical residues in the two sequences when aligned and wherein N_(ref) is the number of residues in one of the sequences. Hence, the DNA sequence AGTCAGTC will have a sequence similarity of 75% with the sequence AATCAATC (N_(ref)=8; N_(dif)=2).

Alternatively or additionally, “homology” or “identity” with respect to sequences can refer to the number of positions with identical nucleotides or amino acids divided by the number of nucleotides or amino acids in the shorter of the two sequences wherein alignment of the two sequences can be determined in accordance with the Wilbur and Lipman algorithm (Wilbur and Lipman, 1983, PNAS, USA 80:726, incorporated herein by reference), for instance, using a window size of 20 nucleotides, a word length of 4 nucleotides, and a gap penalty of 4, and computer-assisted analysis and interpretation of the sequence data including alignment can be conveniently performed using commercially available programs (e.g., Intelligenetics™ Suite, Intelligenetics Inc. CA). When RNA sequences are said to be similar, or have a degree of sequence identity or homology with DNA sequences, thymidine (T) in the DNA sequence is considered equal to uracil (U) in the RNA sequence (see also alignment used in Figures).

RNA sequences within the scope of the invention can be derived from DNA sequences, by thymidine (T) in the DNA sequence being considered equal to uracil (U) in RNA sequences.

Additionally or alternatively, amino acid sequence similarity or identity or homology can be determined using the BlastP program (Altschul et al., Nucl. Acids Res. 25, 3389-3402 (1997), incorporated herein by reference) and available at NCBI. The following references (each incorporated herein by reference) provide algorithms for comparing the relative identity or homology of amino acid residues of two proteins, and additionally or alternatively with respect to the foregoing, the teachings in these references can be used for determining percent homology or identity: Needleman S B and Wunsch C D, “A general method applicable to the search for similarities in the amino acid sequences of two proteins,” J. Mol. Biol. 48:444-453 (1970); Smith T F and Waterman M S, “Comparison of Bio-sequences,” Advances in Applied Mathematics 2:482-489 (1981); Smith T F, Waterman M S and Sadler J R, “Statistical characterization of nucleic acid sequence functional domains,” Nucleic Acids Res., 11:2205-2220 (1983); Feng D F and Dolittle R F, “Progressive sequence alignment as a prerequisite to correct phylogenetic trees,” J. of Molec. Evol., 25:351-360 (1987); Higgins D G and Sharp P M, “Fast and sensitive multiple sequence alignment on a microcomputer,” CABIOS, 5: 151-153 (1989); Thompson J D, Higgins D G and Gibson T J, “ClusterW: improving the sensitivity of progressive multiple sequence alignment through sequence weighing, positions-specific gap penalties and weight matrix choice, Nucleic Acid Res., 22:4673-480 (1994); and, Devereux J, Haeberlie P and Smithies O, “A comprehensive set of sequence analysis program for the VAX,” Nucl. Acids Res., 12: 387-395 (1984).

In this fashion, by comprehending nucleic acid molecules and polypeptides having such homology to the particular sequences disclosed, it is envisioned that the invention encompasses homologues to the disclosed sequences, within the herein terms.

As to homologues of the disclosed amino acid sequences (FIGS. 2A, 8), it is advantageous that these homologues have the herein defined crystal structure; and, as to homologues of the disclosed nucleic acid sequences, it is advantageous that these homologues encode BACE proteins having the herein defined crystal structure.

Furthermore, as to inventive nucleic acid molecules, the invention comprehends codon equivalent nucleic acid molecules. For instance, if the invention comprehends “X” protein having amino acid sequence “A” and nucleic acid molecule “N” encoding protein X, the invention comprehends nucleic acid molecules that also encode protein X via one or more different codons than in nucleic acid molecule N.

In addition, as to inventive nucleic acid molecules, the invention comprehends nucleic acid molecules that hybridize under stringent conditions to herein disclosed nucleic acid molecules.

As to herein disclosed amino acid sequences, the invention comprehends nucleic acid molecules encoding the herein disclosed amino acid sequences, as well as nucleic acid molecules that hybridize under stringent conditions to nucleic acid molecules encoding herein disclosed amino acid sequences, as these nucleic acid molecules that hybridize under stringent conditions to nucleic acid molecules encoding herein disclosed amino acid sequences can provide proteins having similarity, homology or identity as herein discussed, especially if the proteins have the same or substantially the same crystal structure as herein disclosed.

The present invention further provides in particular embodiments a crystalline structure of both the soluble BACE catalytic domain in the presence of OM99-2 and in the absence of OM99-2, both having a space group of C2 and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing and/or having a space group transition from C2 to P2, together with an increase in the number of copies of the molecule in the asymmetric unit, while the cell dimensions and the packing of the P2, form are closely related to those of the C2 crystal form, on soaking the apo-BACE crystal with a ligand The cell dimensions of the crystals grown in the presence of OM99-2 (FIG. 3A) are a=236.63 Å, b=105.02 Å, and c=62.59 Å and β=101.32° and the asymmetric unit of the crystal containing three copies of BACE. The cell dimensions of the crystals grown in the absence of OM99-2 (FIG. 3B) are a=−238.3 Å, b=107.4 Å, and c=60.4 Å and β=101.89°. However, as is evident from the present disclosure, the invention is not limited by the crystals having been grown in the presence or absence of OM99-2 or anything else, and that cell dimensions can vary in all directions of the cell dimensions from a stated value, e.g., a stated cell dimension value can be that value±standard deviation (0.2 Å) or ±cell variability of 3 Å, and that the stated beta angle can vary, e.g., a stated beta angle can be that value, for instance 101.32° or 101.89° or that value±standard deviation (0.2°) or between 101° and 108°.

BACE crystals of the present invention can have a resolution better than, i.e., numerically lower than 3 Å.

The present invention further provides a method of employing the crystals of the present invention in drug screening assays, comprising selecting a potential compound which binds to the active site of the BACE catalytic domain of BACE, as well as to uses of such a compound, as herein mentioned.

The present invention further provides a data storage medium encoded with the structural co-ordinates of crystallized BACE or at least a functional portion thereof. Such data storage material is capable of displaying such structures, or their structural homologues, as a graphical three-dimensional representation on a computer screen. This invention also relates to methods of using the structure co-ordinates to solve the structure of similar or homologous proteins or protein complexes. In addition, this invention relates to methods of using structure co-ordinates to screen and design compounds, including inhibitory compounds, that bind to BACE or homologues thereof. The present invention also relates to compositions and crystals of BACE in complex with a BACE inhibitor. Cf. WO 01/37194.

In this disclosure, “comprises,” “comprising,” “containing” and “having” and the like can have the meaning ascribed to them in U.S. Patent law and can mean “includes,” “including,” and the like; “consisting essentially of” or “consists essentially” likewise has the meaning ascribed in U.S. Patent law and the term is open-ended, allowing for the presence of more than that which is recited so long as basic or novel characteristics of that which is recited is not changed by the presence of more than that which is recited, but excludes prior art embodiments.

These and other embodiments are disclosed or are obvious from and encompassed by, the following Detailed Description.

BRIEF DESCRIPTION OF FIGURES

The following Detailed Description, given to describe the invention by way of example, but not intended to limit the invention to specific embodiments described, may be understood in conjunction with the accompanying Figures, incorporated herein by reference, in which:

FIG. 1A shows an alignment of BACE DNA sequences (EMBL-AF190725.SEQ, EMBL-AF200343.SEQ, and EMBL-AF204943.SEQ), and a BACE DNA sequence of the present invention (BACE_dna.SEQ) (SEQ ID NOs: 1-4), illustrating the novelty, nonobviousness and inventive step of the present invention*, **;

FIG. 1B shows an alignment of a BACE polypeptide sequence of the present invention (baceprot.pro) and a BACE polypeptide sequence (P56817.pro) (SEQ ID NOs: 5-6), illustrating the novelty, nonobviousness and inventive step of the present invention*, **;

FIG. 2A shows an inventive BACE polypeptide sequence encoded by a BACE nucleotide sequence of the present invention (SEQ ID NO: 5);

FIG. 2B shows an inventive BACE nucleotide sequence (SEQ ID NO: 4);

FIG. 3A shows a photograph from a light microscope of the BACE crystal grown in the presence of OM99-2;

FIG. 3B shows a photograph from a light microscope of the BACE crystal grown in the absence of any added inhibitor (OM99-2);

FIG. 4A shows a diagram providing the arrangement of BACE monomers in asymmetric unit of crystallographic cell (The blue (molecule C) and orange (molecule B) molecules of the dimer, which is homologous to the dimer of Tang et al. WO01/00663, Tang et al. WO01/00665, Hong et al., Science, 2000; 290, 150-153; the molecule in pink (molecule A) forms a dimer with a crystallographically related molecule, which is homologous to the non-crystallographic dimer);

FIG. 4B shows a diagram providing the packing of the molecules in the unit cell of BACE (The pink (C), orange (B) and blue molecules (A) form the asymmetric unit, which is related to the molecules in red (D), dark blue (E) and green (F) by crystallographic symmetry);

FIG. 5 shows a copy of the gel from SDS-PAGE purification of BACE;

FIG. 6 shows a diagrammatic representation of the comparison between the BACE protein of the present invention versus Tang et al. WO01/00663, Tang et al. WO01/00665, Hong et al., Science, 2000; 290, 150-153 (the downward facing arrows are the sites of proteolytic cleavage; TM is the transmembrane region and cyt is the cytoplasmic region), illustrating the novelty and nonobviousness and inventive step of the present invention;

FIG. 7 shows an alignment of BACE DNA sequences (e.g., Ep855444.seq, WO100663.SEQ, and WO0123533seq25.SEQ) and a BACE DNA sequence of the present invention (BACE_dna.SEQ) (SEQ ID NOs: 7-9 and 4), illustrating the novelty and nonobviousness and inventive step of the present invention*, ***;

FIG. 8 shows an alignment of BACE amino acid sequences (e.g., WO0123533SEQ32.pro and WO0100663.PRO) and a BACE amino acid sequence of the present invention (baceprot.pro) (SEQ ID NOs: 10-11, and 5), illustrating the novelty and nonobviousness and inventive step of the present invention*, ***;

(* Figure color coded to show similarities and/or differences.)

(** EMBL-AF190725.SEQ, EMBL-AF200343.SEQ, and EMBL-AF204943.SEQ are EMBL sequences; P56817.pro is a Genbank sequence, accession P56817.)

(*** Ep855444.seq, WO0100663.SEQ, WO0123533seq25.SEQ, WO0123533SEQ32.pro and WO0100663.PRO are sequences from European Patent Application 855444, and PCT publications WO01/00663, WO01/23533, WO01/23533 and WO01/00663.)

DETAILED DESCRIPTION

The present invention involves a catalytic domain of BACE, or a form of BACE that is suitable for crystallization with the correct disulphide bonding. Correct disulphide bonding refers to the disulphide bonding of a biologically active conformation of a catalytic domain of BACE or a BACE protein that retains functionality. Having the correct disulphide bonding eliminates the need for refolding and/or a catalytic domain of BACE or a BACE protein having an unoccupied or substantially unoccupied active site (apo-BACE crystals with no ligand bound, regardless of the source of the BACE) and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme such as between about pH 5.6 and about pH 5.8 and/or having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å±cell variability of 3 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å±cell variability of 3 Å, and c=62.59 Å or 62.59 Å±standard deviation (0.2 Å) or 62.59 Å±cell variability of 3 Å and β=101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE (e.g., from growth in the presence of OM99-2) or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±cell variability of 3 Å, b=107.4 Å±standard deviation (0.2 Å) or 107.4 Å±cell variability of 3 Å, and c=60.4 Å or 60.4 Å±standard deviation (0.2 Å) or 60.4 Å±cell variability of 3 Å and β=101.89° or 101.89°±standard deviation (0.2°) or between 101° and 108° (e.g., from crystals grown in the absence of OM99-2) and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing and/or having a space group transition from C2 to P2₁ together with an increase in the number of copies of the molecule in the asymmetric unit, while the cell dimensions and the packing of the P2₁ form are closely related to those of the C2 crystal form, on soaking the apo-BACE crystal with a ligand.

The present invention further involves the expression of these BACE proteins and their use; for instance in the rational design or identification of inhibitors or modulators of BACE.

The BACE recombinant proteins of the present invention are advantageously expressed in insect cells through a baculovirus expression system and are soluble and lack glycosylation. Increased solubility can be achieved by C-terminal truncation of the protein to remove the transmembrane and cytoplasmic regions, while glycosylation can be removed by introducing mutations at the glycosylation sites. WO01/00663 (Tang et al.), WO01/00665 (Tang et al.), Hong et al., Science, 2000; 290, 150-153, in contrast, produced the C-terminally truncated memapsin 2 protein in bacteria for crystallization. More specifically, memapsin 2 was produced as insoluble inclusion bodies in bacteria. Therefore refolding was necessary to give a soluble, active protein. However during refolding/purification the N-terminal region was lost, due to unidentified proteolytic activity. Furthermore the final protein used for crystallization studies was a mixture of species, the majority having an N-terminus at Leu41 and a minority at Leu43 (the mature N-terminus is at Glu46). See Table 4, infra, for a comparison of the Tang/Hong crystal structure with the present invention.

The exemplified BACE protein was expressed with: 1) a His₆ tag added at the C-terminus to facilitate purification; 2) mutations of the asparagine residue to glutamine in the four potential glycosylation sites at amino acids 153, 172, 223 and 354, to prevent glycosylation of the protein; 3) an N-terminus generated by furin cleavage; 4) a FLAG oligopeptide tag added to the N-terminus of the pro-peptide to enable differentiation between processed and unprocessed protein and 5) a signal peptide derived from the gp67 baculoviral protein.

Possible vectors for use in the present invention, e.g., for expressing BACE or a nucleic acid molecule encoding BACE, include, but are not limited to: for insect cells, pFastBAc1 (Life Technologies), pFastBAcDual pFastBAc1 (Life Technologies), pBlueBac III or pBlueBacHis baculovirus vectors (Invitrogen, San Diego, Calif.); for bacterial cells, pET-3 (Novagen, Madison, Wis.) and for mammalian cells, pJT4 (discussed further below), pcDNA-1 (Invitrogen, San Diego, Calif.) and pSV-SPORT 1 (Gibco-BRL, Gaithersburg, Md.). Thus, any suitable vector can be used for expression of the BACE catalytic domain or proteins or for replication and/or expression of nucleic acid molecules of the invention, including e.g., in bacterial systems such as Escherichia coli, or in viral vector systems, and DNA plasmid systems. The methods for making a vector or recombinant or plasmid for expression of BACE or nucleic acid molecules encoding BACE can be any desired method, e.g., a method which is by or analogous to the methods disclosed herein cited documents and/or in: U.S. Pat. Nos. 4,603,112, 4,769,330, 5,174,993, 5,505,941, 5,338,683, 5,494,807, 4,722,848, 4,745,051, 4,879,236, 5,762,939, 5,858,368, 6,224,882, 6,103,526, 4,769,331, 5,591,439, 5,552,143, 5,591,639, 5,589,466, 5,580,859, 6,130,066, 6,004,777, 5,990,091, and 6,156,567. However, baculovirus vector systems and insect cells are presently preferred.

The expression product generated by vectors or recombinants in this invention are advantageously isolated and/or purified from infected or transfected cells or culture medium.

The DNA sequence coding for the BACE catalytic domain can be present in the vector operably linked to regulatory elements. In one embodiment of the present invention, insect host cells are preferably transfected with the recombinant hBACE_synth_his/pFastbac baculoviral DNA, thereby resulting in expression of the BACE catalytic domain. In another embodiment of the present invention, insect host cells are preferably transfected with the FURIN/pFastBac Dual baculoviral DNA, thereby resulting in expression of furin. Transfection and co-transfection with the recombinant molecules can be effected using methods well known in the art.

Host cells may be stably transfected or transiently transfected with a recombinant expression plasmid or infected by a recombinant virus vector. The host cells include prokaryotic cells, such as Escherichia coli, fungal systems such as Saccharomyces cerevisiae, permanent cell lines derived from insects such as Trichoplusia ni HighFive cells, Spodoptera frugiperda (SF-9) cells and Spodoptera frugiperda (SF-21) cells, Spodoptera frugiperda (SF900+, U.S. Pat. No. 6,103,066), and permanent mammalian cell lines such as Chinese hamster ovary (CHO) and SV40-transformed African green monkey kidney cells (COS).

The present invention contemplates “mutants” wherein a “mutant” refers to a polypeptide which is obtained by replacing at least one amino acid residue in a native or synthetic BACE catalytic domain with a different amino acid residue and/or by adding and/or deleting amino acid residues within the native polypeptide or at the N- and/or C-terminus of a polypeptide corresponding to a native BACE catalytic domain and which has substantially the same three-dimensional structure as the native BACE catalytic domain from which it is derived. Similarly, the present invention contemplates “mimics”; e.g., proteins that have substantially the same herein disclosed crystal structure of BACE. A mimic can be a mutant. By having substantially the same three-dimensional structure is meant having a set of atomic structure co-ordinates that have a root mean square deviation (r.m.s.d.) of less than or equal to about 2.0 Å when superimposed with the atomic structure co-ordinates of the native BACE catalytic domain from which the mutant is derived when at least about 50% to 100% of the C_(α) atoms of the native catalytic domain are included in the superposition. A mutant or mimic may have, but need not have, β-secretase activity.

The co-ordinates of Table 5 provide a measure of atomic location in Angstroms, to a third decimal place. The co-ordinates are a relative set of positions that define a shape in three dimensions, so it is possible that an entirely different set of co-ordinates and/or space group having a different origin and/or axes and/or space group could define a similar or identical shape. Furthermore, varying the relative atomic positions of the atoms of the structure so that the root mean square deviation of the residue backbone atoms (i.e., the nitrogen-carbon-carbon backbone atoms of the protein amino acid residues) is less than 1.5 Å (preferably less than 1.0 Å and more preferably less than 0.5 Å) when superimposed on the co-ordinates provided in Table 5 for the residue backbone atoms, will generally result in a structure which is substantially the same as the structure of Table 5 in terms of both its structural characteristics and potency for structure-based design or identification of BACE inhibitors or modulators. Likewise, changing the number and/or positions of the water molecules and/or substrate molecules of Table 5 will not generally affect the potency of the structure for structure-based design of BACE inhibitors or modulators. Thus, for the purposes described herein as being aspects of the present invention, it is within the scope of the present invention if: the Table 5 co-ordinates are transposed to a different origin and/or axes; the relative atomic positions of the atoms of the structures are varied so that the root mean square deviation of residue backbone atoms is less than 1.5 Å (preferably less than 1.0 Å and more preferably less than 0.5 Å) when superimposed on the co-ordinates provided in Table 5 for the residue backbone atoms; and/or the number and/or positions of water molecules and/or substrate molecules is varied. Reference herein to the data of Table 5 accordingly includes the co-ordinate data in which one or more individual values of the Table are varied in this way. By “root mean square deviation” is meant the square root of the arithmetic mean of the squares of the deviations from the mean.

As used herein, “Crystal or crystalline structure” or “crystalline form”: refers to a polypeptide in crystalline form. The term also includes co-crystals, as described herein. The term “co-crystal” refers to a crystal formed from a solution containing a mixture of the components i.e., polypeptide(s) and compound(s). Such compounds include, by way of example and not limitation, cofactors, substrates, substrate analogues, inhibitors, allosteric effectors, etc. Compounds include OM99-2, OM99-1 and a statine based peptide (Marcinkeviciene J., Luo Y., Gracian, N R., Combs Ap. And Copeland, R A. J. Biol Chem. 2001, 276:23790-23794). A soaked crystal is where a crystal is produced from one component (polypeptide) and then the other component is soaked in the compound(s).

The “binding” which is detected between a ligand and the active site, such as to determine inhibitors of BACE is an “association” between the ligand and the active site; and “association” refers to a condition of proximity between a chemical entity or compound, or portions or fragments thereof, and the BACE catalytic domain protein, or portions or fragments thereof. The association may be non-covalent, i.e., where the juxtaposition is energetically favored by, e.g., hydrogen-bonding, van der Waals, electrostatic or hydrophobic interactions, or it may be covalent.

The “active site” refers to that site in BACE domains where substrate peptide binding and cleavage occur. It is the site in BACE that is sought to be blocked by an inhibitor or ligand. A “functional portion” of a BACE protein includes at least the active site.

A “crystallographically-related dimer” is a dimer of two molecules wherein the symmetry axes or planes that relate the two molecules comprising the dimer coincide with the symmetry axes or planes of the crystal lattice, whereas a “non-crystallographically-related dimer” is a dimer of two molecules wherein the symmetry axes or planes that relate the two molecules comprising the dimer do not coincide with the symmetry axes or planes of the crystal lattice. And, “Bilobal structure:” refers to two globular lobes of the BACE protein and corresponds to the amino- and carboxy-terminal halves of the protein.

BACE contains a signal sequence, a pro-peptide, a catalytic aspartyl protease domain, a transmembrane region and a C-terminal cytoplasmic region. During transit through the endoplasmic reticulum, BACE undergoes constitutive N-terminal processing in the Golgi apparatus in which the pro-peptide is cleaved by a furin-like protease (Bennet et al 2000, Creemers et al 2001). More specifically, BACE undergoes a series of post-translational modifications including glycosylation, disulfide bond formation and propeptide processing. Haniu et al. have shown that BACE is N-glycosylated at four sites (Asn-153, Asn-172, Asn-223 and Asn-354) and that six Cys residues in the ectodomain form three intramolecular disulphide bonds (Cys216-Cys420, Cys278-Cys333 and Cys330-Cys380).

The present invention relates to crystalline polypeptides corresponding to the catalytic domain of BACE. Preferably, the crystalline catalytic domains are of sufficient quality to allow the determination of the three-dimensional X-ray diffraction structure to a resolution of better than, i.e., numerically lower than, 3.0 Å. The invention also relates to methods for preparing and crystallizing the polypeptides. The polypeptides themselves, as well as information derived from their crystal structures can be used to analyze and modify BACE as well as to identify compounds that interact with the catalytic domain. This can allow for the rational design or identification of compounds that inhibit or modulate BACE or interact with BACE or associate with BACE; which compounds have therapeutic value.

Crystalline BACE

The crystals of the invention generally comprise substantially pure polypeptides corresponding to the BACE catalytic domain in crystalline form.

It is to be understood that the crystalline BACE catalytic domains of the invention are not limited to synthetic BACE domains. Indeed, the crystals of the invention also include native BACE catalytic domains and mutants and mimics of the BACE catalytic domain.

Amino acid substitutions, deletions and additions which do not significantly interfere with the three-dimensional structure of the BACE domain will depend, in part, on the region of the BACE domain where the substitution, addition or deletion occurs. In highly variable regions of the molecule, non-conservative substitutions as well as conservative substitutions may be tolerated without significantly disrupting the three-dimensional structure of the molecule. In highly conserved regions, or regions containing significant secondary structure, conservative amino acid substitutions are preferred.

Conservative amino acid substitutions are well-known in the art, and include substitutions made on the basis of similarity in polarity, charge, solubility, hydrophobicity, hydrophilicity and/or the amphipathic nature of the amino acid residues involved. For example, negatively charged amino acids include aspartic acid and glutamic acid; positively charged amino acids include lysine and arginine; amino acids with uncharged polar head groups having similar hydrophilicity values include the following: leucine, isoleucine, valine; glycine, alanine; asparagine, glutamine; serine, threonine; phenylalanine, tyrosine. Other conservative amino acid substitutions are well known in the art.

In some instances, it may be particularly advantageous or convenient to substitute, delete and/or add amino acid residues to a BACE catalytic domain in order to provide convenient cloning sites in cDNA encoding the polypeptide, to aid in purification of the polypeptide, etc. Such substitutions, deletions and/or additions which do not substantially alter the three dimensional structure of the BACE catalytic domain will be apparent to those having skills in the art.

It should be noted that the mutants contemplated herein need not exhibit enzymatic activity. Indeed, amino acid substitutions, additions or deletions that interfere with the β-secretase activity of the BACE domain but which do not significantly alter the three-dimensional structure of the domain are specifically contemplated by the invention. Such crystalline polypeptides, or the atomic structure co-ordinates obtained therefrom, can be used to identify compounds that bind to the native domain.

The co-crystals of the invention generally comprise a crystalline BACE domain polypeptide in association with one or more compounds. The association may be covalent or non-covalent. Such compounds include, but are not limited to, cofactors, substrates, substrate analogues, inhibitors, allosteric effectors, etc.

Production of Polypeptides

The synthetic and mutated BACE catalytic domain polypeptides described herein may be chemically synthesized in whole or part using techniques that are well-known in the art (see, e.g.; Kochendoerfer G G (2001) “Chemical protein synthesis methods in drug discovery”. Current Opinion in Drug Discovery and Development 4, 205-214). Alternatively, methods which are well known to those skilled in the art can be used to construct expression vectors containing the synthetic or mutated BACE domain polypeptide coding sequence and appropriate transcriptional/translational control signals. These methods include in vitro recombinant DNA techniques, synthetic techniques and in vivo recombination/genetic recombination. See, for example, the techniques described in Maniatis et al., 1989.

A variety of host-expression vector systems may be utilized to express the synthetic BACE domain coding sequence. These include but are not limited to insect cell systems infected with recombinant virus (e.g., baculovirus) containing the BACE domain coding sequence or animal cell systems; microorganisms such as bacteria transformed with recombinant bacteriophage DNA, plasmid DNA or cosmid DNA expression vectors containing the BACE domain coding sequence and yeast transformed with recombinant yeast expression vectors containing the BACE domain coding sequence. The expression elements of these systems vary in their strength and specificities. Depending on the host/vector system utilized, any of a number of suitable transcription and translation elements, including constitutive and inducible promoters, may be used in the expression vector. For example, when cloning in insect cell systems, promoters such as the baculovirus polyhedrin promoter may be used; in bacterial systems, inducible promoters such as pL of bacteriophage .mu., plac, ptrp, ptac (ptrp-lac hybrid promoter) and the like may be used; when cloning in mammalian cell systems, promoters derived from the genome of mammalian cells (e.g., metallothionein promoter) or from mammalian viruses (e.g., the adenovirus late promoter; the vaccinia virus 7.5K promoter) may be used and when generating cell lines that contain multiple copies of the BACE catalytic domain DNA, SV40-, BPV- and EBV-based vectors may be used with an appropriate selectable marker.

Crystallization of Polypeptides and Characterization of Crystal Structure

The crystals of the invention can be obtained by conventional means as are well-known in the art of protein crystallography, including batch, liquid bridge, dialysis, vapor diffusion and hanging drop methods (see, e.g., McPherson, 1982; McPherson, 1990; Webber, 1991).

Generally, the crystals of the invention are grown by dissolving substantially pure synthetic BACE domain polypeptide in an aqueous buffer containing a precipitant at a concentration just below that necessary to precipitate the protein. Water is removed by controlled evaporation to produce precipitating conditions, which are maintained until crystal growth ceases.

In a preferred embodiment of the invention, native crystals are grown by vapor diffusion in hanging drops (McPherson, 1982 and 1990). In this method, the polypeptide/precipitant solution is allowed to equilibrate in a closed container with a larger aqueous reservoir having a precipitant concentration optimal for producing crystals. Generally, equal volumes of a substantially pure polypeptide solution are mixed with an equal volume of reservoir solution, giving a precipitant concentration about half that required for crystallization. This solution is suspended as a droplet underneath a coverslip, which is sealed onto the top of the reservoir. The sealed container is allowed to stand, usually for about 2-6 weeks, until crystals grow.

Thus, the invention provides a method for crystallizing BACE which comprises producing a BACE protein, e.g., by recombinant production via a suitable host and/or vector such as through expression in insect cells, recovering the BACE and growing crystals from the recovered BACE. The BACE so produced is suitable for X-ray diffraction analysis. And, the growing of the crystals can be by any suitable means, advantageously the hanging drop method.

Uses of the Crystals and Atomic Structure Co-Ordinates

The crystals of the invention, and particularly the atomic structure co-ordinates obtained therefrom, have a wide variety of uses. The crystals (either apo or co-complexed) and structure co-ordinates (either apo or co-complexed) are particularly useful for identifying compounds that inhibit β-secretase activity as an approach towards developing new therapeutic agents.

The structure co-ordinates described herein can be used as phasing models in determining the crystal structures of additional synthetic or mutated BACE domains, as well as the structures of co-crystals of such domains with ligands such as inhibitors, agonists, antagonists, etc. The structure co-ordinates, as well as models of the three-dimensional structures obtained therefrom, can also be used to aid the elucidation of solution-based structures of synthetic or mutated BACE domains, such as those obtained via nuclear magnetic resonance (NMR).

The provision of the structure of BACE crystals in Table 5 provides the skilled artisan with a detailed insight into the mechanisms of action of BACE. This insight provides a means to design inhibitors of BACE which can be used for inhibiting BACE or the production of Aβ or fragments thereof or treating AD or disorders involving the production of Aβ or fragments thereof (which disorders are treatable by inhibition of BACE) in an individual in need thereof.

The provision of the crystal structure of BACE allows a novel approach for drug discovery, identification, and design for modulators, e.g., inhibitors, of BACE. Accordingly, the invention provides a computer-based method of rational drug design or identification which comprises: providing the structure of BACE as defined by the co-ordinates or the identifying co-ordinates in Table 5; providing a structure of a candidate modulator or inhibitor; and fitting the structure of the candidate to the structure of BACE of Table 5.

In an alternative aspect, the method may use the co-ordinates of atoms of interest of BACE which are in the vicinity of the active site or binding region in order to model the pocket in which the substrate or ligand binds. These co-ordinates may be used to define a space which is then screened “in silico” against a candidate modulator molecule. Thus, the invention provides a computer-based method of rational drug design or identification which comprises: providing the co-ordinates of at least two atoms of Table 5 of BACE (“selected co-ordinates”); providing the structure of a candidate modulator or inhibitor; and fitting the structure of the candidate to the selected co-ordinates of BACE.

In practice, it may be desirable to model a sufficient number of atoms of BACE as defined by the co-ordinates of Table 5 which represent the active site or binding region. Thus, there can be provided the co-ordinates of at least 5, advantageously at least 10, more advantageously at least 50 and even more advantageously at least 100 atoms of the BACE structure.

Accordingly, the methods of the invention can employ a sub-domain of interest of BACE which is in the vicinity of the active site or binding region, and the invention can provide a computer-based method for identifying or rationally designing a drug which comprises: providing the co-ordinates of at least a sub-domain of BACE; providing the structure of a candidate modulator or inhibitor of BACE; and fitting the structure of the candidate to the co-ordinates of the BACE sub-domain provided.

These methods can optionally include synthesizing the candidate and can optionally further include contacting the candidate with BACE to test whether there is binding and/or inhibition.

“Fitting” can mean determining, by automatic or semi-automatic means, interactions between at least one atom of the candidate and at least one atom of BACE and calculating the extent to which such an interaction is stable. Interactions can include attraction, repulsion, brought about by charge, steric considerations, and the like. A “sub-domain” can mean at least one, e.g., one, two, three, or four, complete element(s) of secondary structure. Particular regions of BACE include those identified in Table 5.

Modulators of BACE may be inhibitors of BACE or compounds which affect its specificity or activity in other ways. Advantageously, modulators are inhibitors.

The step of providing the structure of a candidate modulator molecule may involve selecting the compound by computationally screening a database of compounds for interaction with the active site. For example, a 3-D descriptor for the potential modulator may be derived, the descriptor including geometric and functional constraints derived from the architecture and chemical nature of the active site. The descriptor may then be used to interrogate the compound database, a potential modulator being a compound that has a good match to the features of the descriptor. In effect, the descriptor can be a type of virtual pharmacophore.

In any event, the determination of the three-dimensional structure of BACE provides a basis for the design of new and specific modulators for BACE. For example, from knowing the three-dimensional structure of BACE, computer modelling programs may be used to design or identify different molecules expected to interact with possible or confirmed active sites such as binding sites or other structural or functional features of BACE.

More specifically, a potential modulator of BACE activity can be examined through the use of computer modeling using a docking program such as GRAM, DOCK or AUTODOCK (see Walters et al. Drug Discovery Today, vol. 3, no. 4 (1998), 160-178, and Dunbrack et al. Folding and Design 2 (1997), 27-42) to identify potential inhibitors of BACE. This procedure can include computer fitting of potential modulators to BACE to ascertain how well the shape and the chemical structure of the potential modulator (e.g., inhibitor) will bind to the enzyme.

Also, computer-assisted, manual examination of the active site or binding site of BACE may be performed. The use of programs such as GRID (P. Goodford, J. Med. Chem, 1985, 28, 849-57)—program that determines probable interaction sites between molecules with various functional groups and the enzyme surface—may also be used to analyze the active site or binding site to predict partial structures of modulating compounds.

Computer programs can be employed to estimate the attraction, repulsion or steric hindrance of the two binding partners, e.g., BACE and a candidate inhibitor. Generally, the tighter the fit, the fewer the steric hindrances, and the greater the attractive forces, the more potent the potential modulator, since these properties are consistent with a tighter binding constant. Furthermore, the more specificity in the design of a candidate modulator, the more likely it is that it will not interact with other proteins as well. This will tend to minimize potential side-effects due to unwanted interactions with other proteins.

In a further aspect the invention provides for a method for determining the structure of a modulator of BACE bound to BACE, said method comprising, (a) providing a crystal of BACE according to the invention, (b) soaking the crystal with said modulator; and (c) determining the structure of said BACE-modulator complex.

The invention further involves, in place of or in addition to in silico methods, high throughput screening of compounds to select compounds with binding activity. Those compounds which show binding activity may be selected as possible candidate modulators, and further crystallized with BACE, e.g., by co-crystallization or by soaking, for X-ray analysis. The resulting X-ray structure may be compared with that of Table 5 for a variety of purposes. For example, where the contacts made by such compounds overlap with those made by BACE, novel molecules comprising residues which contain contacts of BACE and other compounds may be provided.

Having designed, identified, or selected possible binding candidate modulators or inhibitors by determining those which have favorable fitting properties, e.g., strong attraction between a candidate and BACE, these can be then screened for activity. Consequently, the invention further involves: obtaining or synthesizing the candidate modulator or inhibitor; and contacting the candidate modulator or inhibitor with BACE to determine the ability of the candidate to inhibit or modulate or interact with BACE. In the latter step, the candidate is advantageously contacted with BACE under conditions to determine its function. Instead of, or in addition to, performing such an assay, the invention may comprise: obtaining or synthesizing the candidate modulator, forming a complex of BACE and the candidate, and analyzing the complex, e.g., by X-ray diffraction or NMR or other means, to determine the ability of the candidate to interact with BACE. Detailed structural information can then be obtained about the binding of the candidate to BACE, and in light of this information, adjustments can be made to the structure or functionality of the potential modulator, e.g., to improve its binding to BACE. These steps may be repeated and re-repeated as necessary. Advantageously, in the contacting step, the potential modulator is contacted with BACE in the presence of a substrate and typically a buffer, to determine the ability of the potential modulator to alter the function of BACE.

The invention further involves a method of determining three dimensional structures of BACE homologues of unknown structure by using the structural co-ordinates of Table 5. For example, if X-ray crystallographic or NMR spectroscopic data is provided for a BACE homologue of unknown structure, the structure of BACE as defined in Table 5 may be used to interpret that data to provide a likely structure for the BACE homologue by techniques well known in the art, e.g., by phase modeling in the case of X-ray crystallography. Thus, an inventive method can comprise: aligning a representation of an amino acid sequence of a BACE homologue of unknown structure with the amino acid sequence of BACE to match homologous regions of the amino acid sequences; modeling the structure of the matched homologous regions of the BACE of unknown structure on the structure as defined in Table 5 of the corresponding regions of BACE; and, determining a conformation (e.g. so that favorable interactions are formed within the BACE of unknown structure and/or so that a low energy conformation is formed) for the BACE of unknown structure which substantially preserves the structure of said matched homologous regions. “Homologous regions” describes amino acid residues in two sequences that are identical or have similar, e.g., aliphatic, aromatic, polar, negatively charged, or positively charged, side-chain chemical groups. Identical and similar residues in homologous regions are sometimes described as being respectively “invariant” and “conserved” by those skilled in the art. Advantageously, the first and third steps are performed by computer modeling. Homology modeling is a technique that is well known to those skilled in the art (see, e.g., Greer, Science vol. 228 (1985) 1055, and Blundell et al. Eur J Biochem vol 172 (1988), 513).

In general, comparison of amino acid sequences is accomplished by aligning an amino acid sequence of a polypeptide of a known structure with the amino acid sequence of a the polypeptide of unknown structure. Amino acids in the sequences are then compared and groups of amino acids that are homologous are grouped together. This method detects conserved regions of the polypeptides and accounts for amino acid insertions and deletions. Homology between amino acid sequences can be determined by using commercially available algorithms. In addition to those otherwise mentioned herein, mention is made too of the programs BLAST, gapped BLAST, BLASTN, and PSI-BLAST, provided by the National Center for Biotechnology Information. These programs are widely used in the art for this purpose and can align homologous regions of two amino acid sequences.

Once the amino acid sequence of the polypeptides with known and unknown structures are aligned, the structures of the conserved amino acids in a computer representation of the polypeptide with known structure are transferred to the corresponding amino acids of the polypeptide whose structure is unknown. For example, a tyrosine in the amino acid sequence of known structure may be replaced by a phenylalanine, the corresponding homologous amino acid in the amino acid sequence of unknown structure. The structures of amino acids located in non-conserved regions may be assigned manually using standard peptide geometries or by molecular simulation techniques, such as molecular dynamics. Refining the entire structure can be by molecular dynamics and/or energy minimization.

The aspects of the invention which employ the BACE structure in silico may be equally applied to homologue models of BACE obtained by the above aspect of the invention and this forms yet a further embodiment of the invention. Thus, having determined a conformation of a BACE by the methods described herein, such a conformation may be used in a computer-based method of rational drug or compound design or identification as described herein.

The invention further provides a method for determining the structure of a modulator of BACE bound to BACE comprising: providing a crystal of BACE, e.g., according to the invention, soaking the crystal with the modulator, and determining the structure of the BACE-modulator complex. Alternatively or additionally the BACE and the modulator may be co-crystallized.

Having obtained and characterized a modulator according to the invention, the invention further provides a method for modulating the activity of BACE which comprises: providing BACE under conditions where, in the absence of a modulator, BACE is able to exhibit secretase activity, providing a modulator compound (e.g., contacting the modulator and the BACE), determining the extent to which the activity of BACE is altered by the presence of the modulator compound.

The invention further provides systems, such as computer systems, intended to generate structures and/or perform rational drug design for a BACE or complex of BACE and a potential modulator. The system can contain: atomic co-ordinate data according to Table 5 or derived therefrom by homology modeling, said data defining the three-dimensional structure of a BACE or at least one sub-domain thereof; or structure factor data for BACE, said structure factor data being derivable from the atomic co-ordinate data of Table 5. The invention also involves computer readable media with: atomic co-ordinate data according to Table 5 or derived therefrom by homology modeling, said data defining the three-dimensional structure of a BACE or at least one sub-domain thereof; or structure factor data for BACE, said structure factor data being derivable from the atomic co-ordinate data of Table 5. “Computer readable media” refers to any media which can be read and accessed directly by a computer, and includes, but is not limited to: magnetic storage media such as floppy discs, hard storage medium and magnetic tape; optical storage media such as optical discs or CD-ROM; electrical storage media such as RAM and ROM; and hybrids of these categories, such as magnetic/optical media. By providing such computer readable media, the atomic co-ordinate data can be routinely accessed to model BACE or a sub-domain thereof. For example RASMOL (Sayle et al., TIBS vol. 20 (1995), 374) is a publicly available software package which allows access and analysis of atomic co-ordinate data for structural determination and/or rational drug design. The invention further comprehends methods of doing business by providing access to such computer readable media and/or computer systems and/or atomic co-ordinate data to users; e.g., the media and/or atomic co-ordinate data can be accessible to a user, for instance on a subscription basis, via the Internet or a global communication/computer network; or, the computer system can be available to a user, on a subscription basis. Structure factor data, which are derivable from atomic co-ordinate data (see, e.g., Blundell et al., in Protein Crystallography, Academic Press, NY, London and San Francisco (1976)), are particularly useful for calculating, e.g., difference Fourier electron density maps. Thus, there are additional uses for the computer readable media and/or computer systems and/or atomic co-ordinate data and additional reasons to provide them to users. A “computer system” refers to the hardware means, software means and data storage means used to analyze the atomic co-ordinate data of the present invention. The minimum hardware means of computer-based systems of the invention may comprise a central processing unit (CPU), input means, output means, and data storage means. Desirably, a monitor is provided to visualize structure data. The data storage means may be RAM or other means for accessing computer readable media of the invention. Examples of such systems are microcomputer workstations available from Silicon Graphics Incorporated and Sun Microsystems running Unix based, Windows NT or IBM OS/2 operating systems.

The invention also provides a method of analyzing a complex of BACE and a potential modulator comprising: employing X-ray crystallographic diffraction data from the complex and a three-dimensional structure of BACE or at least a sub-domain thereof, to generate a difference Fourier electron density map of the complex; advantageously, the three-dimensional structure being as defined by the atomic co-ordinate data according to Table 5.

Such complexes can be crystallized and analyzed using X-ray diffraction methods, e.g., according to the approaches described by Greer et al., J of Medicinal Chemistry, vol 37 (1994), 1035-54, and difference Fourier electron density maps can be calculated based on X-ray diffraction patterns of soaked or co-crystallized BACE and the solved structure of uncomplexed BACE. These maps can then be used to determine whether and where a particular potential modulator binds to BACE and/or changes the conformation of BACE. Electron density maps can be calculated using programs such as those from the CCP4 computer package (Collaborative Computing Project, No. 4. The CCP4 Suite: Programs for Protein Crystallography, Acta Crystallographica, D50, 1994, 760-763). For map visualization and model building programs such as “QUANTA” (1994, San Diego, Calif.: Molecular Simulations, Jones et al., Acta Crystallography A47 (1991), 110-119) can be used.

Table 5 gives atomic co-ordinate data for BACE complexed with OM99-2, and lists each atom by a unique number; the chemical element and its position in each amino acid residue, the amino acid residue in which the element is located, the chain identifier, the number of the residue, co-ordinates (e.g., X, Y, Z) which define with respect to the crystallographic axes the atomic position (in A) of the respective atom, the occupancy of the atom in the respective position, “B”, isotropic displacement parameter (in A²) which accounts for movement of the atom around its atomic center, and atomic number.

Determination of the 3D structure of BACE provides important information about the likely active site(s) of BACE, particularly when comparisons are made with other enzymes, such as similar enzymes. This information may be used for rational design of BACE inhibitors, e.g., by computational techniques that identify possible binding ligands for the active site(s), by enabling linked-fragment approaches to drug design, and by enabling the identification and location of bound ligands using analyses such as X-ray crystallographic analysis.

Greer et al., supra, relates to an iterative approach to ligand design based on repeated sequences of computer modeling, protein-ligand complex formation, and X-ray analysis. Thymidylate synthase inhibitors were designed by Greer; and, BACE inhibitors may also be designed in this way. Using, for example, GRID (P. Goodford, J. Med. Chem, 1985, 28, 849-57) or the solved 3D structure of BACE, a potential modulator of BACE may be designed that complements the functionalities of the BACE active site(s). The potential modulator can be synthesized, formed into a complex with BACE, and the complex then analyzed, e.g., by X-ray crystallography, NMR or a combination thereof, to identify the actual position of the bound compound.

Determination of the position of the potential modulator compound in the complex allows determination of the interactions of it with BACE. This allows the skilled artisan to analyze the affinity and specificity of the compound for BACE, and to propose modifications to the compound to increase or decrease either or both of these properties. Thus, the structure and/or functional groups of the compound can then be adjusted, if necessary or desired, in view of the results from the analysis (e.g., X-ray analysis), and the synthesis and analysis sequence repeated until an optimized compound is obtained. Related approaches to structure-based drug design are also discussed in other documents cited herein, as well as in Bohacek et al., Medicinal Research Reviews, vol. 16 (1996), 3-5.

As a result of the determination of the BACE 3D structure, more purely computational techniques for rational drug design may also be used to design BACE modulators; for example, automated ligand-receptor docking programs (see Jones et al., in Current Opinion in Biotechnology, vol 6 (1995), 652-656) which require accurate information on the atomic co-ordinates of target receptors, may be used to design or identify potential BACE modulators or inhibitors.

Linked-fragment approaches to drug design also require accurate information on the atomic co-ordinates of a target. Small compounds that have the potential to bind to regions of BACE which in themselves may not be modulator compounds may be assembled by chemical linkage to provide potential modulators. Thus, the basic idea behind these approaches is to determine the binding locations of more than one, e.g., plural or a plurality of, ligands to a target molecule, and then construct a molecular scaffold to connect the ligands together in such a way that their relative binding positions are preserved. The ligands may be provided computationally and modeled in a computer system, or provided in an experimental setting, wherein crystals according to the invention are provided and more than one, e.g., plural or a plurality of, ligands soaked separately or in mixed pools into the crystal prior to analysis, e.g., X-ray analysis, and determination of their location.

The binding site of two or more ligands are determined and may be connected to thus form a potential lead compound that can be further refined, e.g., the iterative technique of Greer et al. For a virtual linked-fragment approach, see Verlinde et al., J of Computer-Aided Molecular Design 6 (1992), 131-147 and for NMR and X-ray approaches, see Skuker et al., Science 274 (1996), 1531-1534, and Stout et al., Structure 6 (1998), 839-48. The use of these or other approaches to design and/or identify BACE modulators (see, e.g., patent documents cited herein such as in the Background Section, supra) is made possible by the determination of the BACE structure.

Many of the techniques and approaches to structure-based described herein employ X-ray analysis to identify the binding position of a potential modulator in a complex with a protein. A common way of doing this is to perform X-ray crystallography on the complex, produce a difference Fourier electron density map, and associate a particular pattern of electron density with the potential modulator. However, to produce a map (See Blundell et al., supra), it is important to know the 3D structure of the protein beforehand (or at least the protein structure factors). Therefore, determination of the BACE structure also allows difference Fourier electron density maps of complexes of BACE with a potential modulator to be produced, which can greatly assist in the process of rational compound and/or drug design or identification.

The approaches to structure-based drug or compound design or identification described herein involve initial identification of possible compounds for interaction with the target molecule (in this case BACE). Sometimes these compounds are known, e.g., from research literature. However, when they are not, or when novel compounds are wanted, a first stage of the drug or compound design or identification program may involve computer-based in silico screening of compound databases (such as the Cambridge Structural Database) with the aim of identifying compounds which interact with the active site or sites of the target bio-molecule (in this case BACE). Screening selection criteria may be based on pharmacokinetic properties such as metabolic stability and toxicity. However, determination of the BACE structure allows the architecture and chemical nature of each BACE active site to be identified, which in turn allows the geometric and functional constraints of a descriptor for the potential inhibitor to be derived. The descriptor can be, therefore, a type of virtual 3D pharmacophore, which can also be used as selection criteria or filter for database screening.

Compounds which have a chemical structure selected using the invention, wherein said compounds are BACE modulators or inhibitors, form a further aspect of the invention; and, such compounds may be used in methods of medical treatments, such as for inhibiting BACE or the production of Aβ or fragments thereof or treating AD or other maladies involving BACE or the production of Aβ or fragments thereof. Further, such compounds may be used in the preparation of medicaments for such treatments. The compounds may be employed alone or in combination with other treatments for inhibiting BACE or the production of Aβ or fragments thereof or treating AD or other maladies involving BACE or the production of Aβ or fragments thereof; and, the compounds may be used in the preparation of combination medicaments for such treatments, or in kits containing the compound and the other treatment.

Turning more specifically to BACE, BACE is a pepsin-like aspartyl proteinase, the mature enzyme consisting of the N-terminal catalytic domain, a transmembrane domain, and a small cytoplasmic domain. BACE has an optimum activity at pH 4.5 (Vassar et al, 1999) or pH 5.0 (Yan et al. 1999) and is found in acidic subcellular compartments such as golgi and endosomes (Vassar et al., 1999 and Capell et al., 2000). The pH in the endosome and trans golgi network, where BACE appears to function, fluctuates in the range of pH 4.5-6.0 with the average pH being stated as 5.0 (Lee et al. 1996) and pH 5.4 (Overly et al. 1995). BACE is not inhibited by standard pepsin inhibitors such as pepstatin. It has been shown that the catalytic domain minus the transmembrane and cytoplasmic domain has activity against substrate peptides (Lin et al, 2000). Consequently, this soluble catalytic domain is suitable for crystallization studies and a crystal structure of this will give a representative structure of the BACE active site for the design of inhibitor molecules. Ideally it would be desirable to crystallize a form of BACE with an unoccupied active site. This could be used to soak in small molecule inhibitors of the enzyme and to investigate their binding modes. Crystals of BACE grown both in the presence and absence of inhibitor, having same space group and similar unit cell parameters are described. These crystals are grown between pH 5.6 and pH 5.8 and thus are grown at the biologically relevant pH of BACE. This is also close to the optimum pH of the enzyme. Upon soaking the C2 crystal form with a ligand, some reorganization of the molecules in the crystal will take place, resulting in a space group change from C2 to P2₁. The cell dimensions and the packing of the P2 form are closely related to those of the C2 form. Because the BACE crystals are grown at physiologically relevant pH the compounds identified in accordance with the invention would be of more biological relevance. The lead compounds/inhibitors generated may be of higher therapeutic value and would truly reflect the mode of inhibition in vivo, particularly for those compounds that are susceptible to changes in protonation state.

A synthetic gene encoding the pro- and aspartyl protease domains of BACE was constructed (see Example 1). The construct extended from Thr 22 to Ser 453 (numbering refers to the full-length BACE sequence, e.g. Genbank accession P56817, SEQ ID NO:6). In each of the four potential glycosylation sites (Asn-X-Ser/Thr: Asparagines-153, -172, -223 and -354) the Asparagine residue was mutated to Glutamine to prevent glycosylation of the protein. Silent mutations were also introduced into the coding sequence in order to reduce the GC content of the gene (FIG. 1A shows an alignment of the synthetic DNA sequence of the present invention with other wild-type BACE genes). A His₆ peptide tag was added to the C-terminus of the protein sequence to facilitate purification on Nickel agarose (see Example 1).

Both forms of the protein could be detected using an anti-His₆ antibody (see FIG. 5); only the unprocessed form containing the pro-peptide was detected using an anti-FLAG antibody. Further changes to the synthetic BACE catalytic domain sequence were the addition of the baculoviral gp67 signal sequence instead of the BACE signal, the addition of a FLAG tag to the N-terminus of the pro-peptide. The gp67 signal sequence increased the secretion of the protein into the cell culture medium, and the FLAG tag was added to allow differentiation between species arising from incomplete pro-peptide cleavage (and to determine if separation is required) (see FIG. 6): Insect cells infected with the BACE baculovirus secreted a mixture of processed and unprocessed BACE into the culture medium. FIG. 2A shows the polypeptide sequence encoded by the synthetic BACE gene.

As mentioned previously, the invention comprehends the use of the inventive BACE proteins in assays or methods for determining inhibitors thereof, e.g., compounds, compositions or active agents or ingredients that bind to BACE, advantageously irreversibly, preferably so as to have a therapeutic effect with respect to AD and other maladies. After determination of a suitable compound, composition, active agent or ingredient that binds to BACE, the compound, composition, active agent or ingredient is then formulated into a composition for administration and is administered to a subject in need thereof. These therapeutics can be administered in known formulations, by known routes of administration, following the teachings of documents cited herein.

It is noted that these therapeutics can be a chemical compound and/or antibody and/or portion thereof or a pharmaceutically acceptable salt and can be administered alone or as an active ingredient in combination with pharmaceutically acceptable carriers, diluents, and vehicles, as well as other active ingredients.

The compounds can be administered orally, subcutaneously or parenterally including intravenous, intraarterial, intramuscular, intraperitoneally, and intranasal administration as well as intrathecal and infusion techniques.

It is noted that humans are treated generally longer than the mice or other experimental animals which treatment has a length proportional to the length of the disease process and drug effectiveness. The doses may be single doses or multiple doses over a period of several days, but single doses are preferred. Thus, one can scale up from animal experiments, e.g., rats, mice, and the like, to humans, by techniques from this disclosure and documents cited herein and the knowledge in the art, without undue experimentation.

The treatment generally has a length proportional to the length of the disease process and drug effectiveness and the patient being treated.

When administering a therapeutic of the present invention parenterally, it will generally be formulated in a unit dosage injectable form (solution, suspension, emulsion). The pharmaceutical formulations suitable for injection include sterile aqueous solutions or dispersions and sterile powders for reconstitution into sterile injectable solutions or dispersions. The carrier can be a solvent or dispersing medium containing, for example, water, ethanol, polyol (for example, glycerol, propylene glycol, liquid polyethylene glycol, and the like), suitable mixtures thereof, and vegetable oils.

Proper fluidity can be maintained, for example, by the use of a coating such as lecithin, by the maintenance of the required particle size in the case of dispersion and by the use of surfactants. Nonaqueous vehicles such a cottonseed oil, sesame oil, olive oil, soybean oil, corn oil, sunflower oil, or peanut oil and esters, such as isopropyl myristate, may also be used as solvent systems for compound compositions

Additionally, various additives which enhance the stability, sterility, and isotonicity of the compositions, including antimicrobial preservatives, antioxidants, chelating agents, and buffers, can be added. Prevention of the action of microorganisms can be ensured by various antibacterial and antifungal agents, for example, parabens, chlorobutanol, phenol, sorbic acid, and the like. In many cases, it will be desirable to include isotonic agents, for example, sugars, sodium chloride, and the like. Prolonged absorption of the injectable pharmaceutical form can be brought about by the use of agents delaying absorption, for example, aluminum monostearate and gelatin. According to the present invention, however, any vehicle, diluent, or additive used would have to be compatible with the compounds.

Sterile injectable solutions can be prepared by incorporating the compounds utilized in practicing the present invention in the required amount of the appropriate solvent with various amounts of the other ingredients, as desired.

A pharmacological formulation of the present invention, e.g., comprising a therapeutic compound, can be administered to the patient in an injectable formulation containing any compatible carrier, such as various vehicles, adjuvants, additives, and diluents; or the compounds utilized in the present invention can be administered parenterally to the patient in the form of slow-release subcutaneous implants or targeted delivery systems such as monoclonal antibodies, iontophoretic, polymer matrices, liposomes, and microspheres.

A pharmacological formulation of the compound utilized in the present invention can be administered orally to the patient. Conventional methods such as administering the compounds in tablets, suspensions, solutions, emulsions, capsules, powders, syrups and the like are usable. Known techniques which deliver the compound orally or intravenously and retain the biological activity are preferred.

In one embodiment, a formulation of the present invention can be administered initially, and thereafter maintained by further administration. For instance, a formulation of the invention can be administered in one type of composition and thereafter further administered in a different or the same type of composition. For example, a formulation of the invention can be administered by intravenous injection to bring blood levels to a suitable level. The patient's levels are then maintained by an oral dosage form, although other forms of administration, dependent upon the patient's condition, can be used.

The quantity to be administered will vary for the patient being treated and will vary from about 100 ng/kg of body weight to 100 mg/kg of body weight per day and preferably will be from 10 pg/kg to 10 mg/kg per day. For instance, dosages can be readily ascertained by those skilled in the art from this disclosure and the knowledge in the art. Thus, the skilled artisan can readily determine the amount of compound and optional additives, vehicles, and/or carrier in compositions and to be administered in methods of the invention. Typically, an adjuvant or additive is commonly used as 0.001 to 50 wt % solution in phosphate buffered saline, and the active ingredient is present in the order of micrograms to milligrams, such as about 0.0001 to about 5 wt %, preferably about 0.0001 to about 1 wt %, most preferably about 0.0001 to about 0.05 wt % or about 0.001 to about 20 wt %, preferably about 0.01 to about 10 wt %, and most preferably about 0.05 to about 5 wt %. Of course, for any composition to be administered to an animal or human, and for any particular method of administration, it is preferred to determine therefor: toxicity, such as by determining the lethal dose (LD) and LD₅₀ in a suitable animal model e.g., rodent such as mouse; and, the dosage of the composition(s), concentration of components therein and timing of administering the composition(s), which elicit a suitable response, such as by titrations of sera and analysis thereof. Such determinations do not require undue experimentation from the knowledge of the skilled artisan, this disclosure and the documents cited herein. And, the time for sequential administrations can be ascertained without undue experimentation.

Examples of compositions comprising a therapeutic of the invention include liquid preparations for orifice, e.g., oral, nasal, anal, vaginal, peroral, intragastric, mucosal (e.g., perlingual, alveolar, gingival, olfactory or respiratory mucosa) etc., administration such as suspensions, syrups or elixirs; and, preparations for parenteral, subcutaneous, intradermal, intramuscular or intravenous administration (e.g., injectable administration), such as sterile suspensions or emulsions. Such compositions may be in admixture with a suitable carrier, diluent, or excipient such as sterile water, physiological saline, glucose or the like. The compositions can also be lyophilized. The compositions can contain auxiliary substances such as wetting or emulsifying agents, pH buffering agents, gelling or viscosity enhancing additives, preservatives, flavoring agents, colors, and the like, depending upon the route of administration and the preparation desired. Standard texts, such as “REMINGTON'S PHARMACEUTICAL SCIENCE”, 17th edition, 1985, incorporated herein by reference, may be consulted to prepare suitable preparations, without undue experimentation.

Compositions of the invention, are conveniently provided as liquid preparations, e.g., isotonic aqueous solutions, suspensions, emulsions or viscous compositions which may be buffered to a selected pH. If digestive tract absorption is preferred, compositions of the invention can be in the “solid” form of pills, tablets, capsules, caplets and the like, including “solid” preparations which are time-released or which have a liquid filling, e.g., gelatin covered liquid, whereby the gelatin is dissolved in the stomach for delivery to the gut. If nasal or respiratory (mucosal) administration is desired, compositions may be in a form and dispensed by a squeeze spray dispenser, pump dispenser or aerosol dispenser. Aerosols are usually under pressure by means of a hydrocarbon. Pump dispensers can preferably dispense a metered dose or, a dose having a particular particle size.

Compositions of the invention can contain pharmaceutically acceptable flavors and/or colors for rendering them more appealing, especially if they are administered orally. The viscous compositions may be in the form of gels, lotions, ointments, creams and the like (e.g., for transdermal administration) and will typically contain a sufficient amount of a thickening agent so that the viscosity is from about 2500 to 6500 cps, although more viscous compositions, even up to 10,000 cps may be employed. Viscous compositions have a viscosity preferably of 2500 to 5000 cps, since above that range they become more difficult to administer. However, above that range, the compositions can approach solid or gelatin forms which are then easily administered as a swallowed pill for oral ingestion.

Liquid preparations are normally easier to prepare than gels, other viscous compositions, and solid compositions. Additionally, liquid compositions are somewhat more convenient to administer, especially by injection or orally. Viscous compositions, on the other hand, can be formulated within the appropriate viscosity range to provide longer contact periods with mucosa, such as the lining of the stomach or nasal mucosa.

Obviously, the choice of suitable carriers and other additives will depend on the exact route of administration and the nature of the particular dosage form, e.g., liquid dosage form (e.g., whether the composition is to be formulated into a solution, a suspension, gel or another liquid form), or solid dosage form (e.g., whether the composition is to be formulated into a pill, tablet, capsule, caplet, time release form or liquid-filled form).

Solutions, suspensions and gels, normally contain a major amount of water (preferably purified water) in addition to the active compound. Minor amounts of other ingredients such as pH adjusters (e.g., a base such as NaOH), emulsifiers or dispersing agents, buffering agents, preservatives, wetting agents, jelling agents, (e.g., methylcellulose), colors and/or flavors may also be present. The compositions can be isotonic, i.e., it can have the same osmotic pressure as blood and lacrimal fluid.

The desired isotonicity of the compositions of this invention may be accomplished using sodium chloride, or other pharmaceutically acceptable agents such as dextrose, boric acid, sodium tartrate, propylene glycol or other inorganic or organic solutes. Sodium chloride is preferred particularly for buffers containing sodium ions.

Viscosity of the compositions may be maintained at the selected level using a pharmaceutically acceptable thickening agent. Methylcellulose is preferred because it is readily and economically available and is easy to work with. Other suitable thickening agents include, for example, xanthan gum, carboxymethyl cellulose, hydroxypropyl cellulose, carbomer, and the like. The preferred concentration of the thickener will depend upon the agent selected. The important point is to use an amount which will achieve the selected viscosity. Viscous compositions are normally prepared from solutions by the addition of such thickening agents.

A pharmaceutically acceptable preservative can be employed to increase the shelf-life of the compositions. Benzyl alcohol may be suitable, although a variety of preservatives including, for example, parabens, thimerosal, chlorobutanol, or benzalkonium chloride may also be employed. A suitable concentration of the preservative will be from 0.02% to 2% based on the total weight although there may be appreciable variation depending upon the agent selected.

Those skilled in the art will recognize that the components of the compositions should be selected to be chemically inert with respect to the active compound. This will present no problem to those skilled in chemical and pharmaceutical principles, or problems can be readily avoided by reference to standard texts or by simple experiments (not involving undue experimentation), from this disclosure and the documents cited herein.

The inventive compositions of this invention are prepared by mixing the ingredients following generally accepted procedures. For example the selected components may be simply mixed in a blender, or other standard device to produce a concentrated mixture which may then be adjusted to the final concentration and viscosity by the addition of water or thickening agent and possibly a buffer to control pH or an additional solute to control tonicity. Generally the pH may be from about 3 to 7.5. Compositions can be administered in dosages and by techniques well known to those skilled in the medical and veterinary arts taking into consideration such factors as the age, sex, weight, and condition of the particular patient, and the composition form used for administration (e.g., solid vs. liquid). Dosages for humans or other mammals can be determined without undue experimentation by the skilled artisan, from this disclosure, the documents cited herein, and the knowledge in the art.

Suitable regimes for initial administration and further doses or for sequential administrations also are variable, may include an initial administration followed by subsequent administrations; but nonetheless, may be ascertained by the skilled artisan, from this disclosure, the documents cited herein, and the knowledge in the art.

Accordingly, the invention comprehends, in further aspects, methods for preparing therapeutic compositions including an active agent, ingredient or compound or BACE inhibitor as from inventive methods herein for ascertaining compounds that bind to and/or inhibit BACE, as well as to methods for inhibiting BACE or the production of Aβ or fragments thereof or treating AD or other maladies.

Furthermore, as discussed herein, the inventive BACE proteins are useful in generating antibodies, which are themselves useful in assays as well as in therapeutics. From documents cited herein, one can readily make and use anti-BACE antibodies and methods for producing monoclonal antibodies are well known to those of ordinary skill in the art, see, e.g., U.S. Pat. Nos. 4,196,265 and 6,221,645. Thus, the BACE proteins of the invention can be used to generate antibodies and the antibodies can be used, without undue experimentation.

The invention will now be further described by the following non-limiting Examples, given by way of illustration.

EXAMPLES Example 1 Production of BACE in Insect Cells

A. Gene Construction and Cloning

The synthetic BACE catalytic domain sequence was constructed a combination of oligonucleotide synthesis and overlap PCR (Cambridge Bioscience Ltd, Cambridge UK). Mutations were inserted at specific sites within the BACE catalytic domain sequence during synthesis to reduce the GC content of the gene. The synthetic gene was then cut with restriction enzymes Sal1 and Not1 to generate a 1489 bp fragment which was then subcloned into the expression vector pFastBac1 (LifeTechnologies), and the DNA sequence verified by standard DNA sequencing methods (e.g., electrophoresis and automated DNA sequence analysis of the insert).

The cDNA encoding human furin was cut by restriction enzymes to generate a 3216 bp Sma1 Xma1 fragment that was then subcloned into the expression vector pFastBac Dual (LifeTechnologies).

B. Baculovirus Generation and Fermentation

Recombinant baculoviruses were constructed by using the expression vectors of the Bac-to-Bac™ system (LifeTechnologies), according to the manufacturers instructions. Manipulations involving insect cells and baculoviruses were carried out according to standard protocols (King and Possee, 1992).

As it has been shown that coexpression of the prohormone convertase furin increases expression of mature TGF-β in insect cells (Laprise et al., 1998), the effect of furin co-expression on BACE production was evaluated i.e., while the total amount of BACE produced did not increase with furin coexpression, there was a reproducible increase in the fraction of processed protein from about 30% of total BACE up to about 60%; this result is quite surprising and advantageous.

Trichoplusia ni HighFive cells (Invitrogen, Carlsbad Calif., USA) were found to give higher levels of BACE expression than Spodoptera frugiperda Sf9 cells, and were used for all protein production. Protein production was carried out in a 20-30 liter working volume bioreactor (Applikon Dependable Instruments, Schiedam, Netherlands), containing Excell 405 medium (JRH Scientific). Cells were infected at a multiplicity of infection (MOI) of 0.1 of each virus at a cell density of 1.5×10⁶ cells/ml. Glucose concentration was measured during the fermentation and adjusted to maintain the starting concentration. Three days after viral infection the HighFive cells were cleared from the medium by continuous flow centrifugation and the medium was concentrated approximately 30-fold by ultrafiltration.

C. Purification of BACE

The expressed BACE protein was purified by affinity chromatography on nickel agarose resin. Initially, the concentrated medium containing the expressed BACE protein was dialysed overnight against 50 mM sodium phosphate pH 8.0, 50 mM sodium acetate, 300 mM NaCl and 10 ml Ni-NTA agarose resin (Qiagen) and equilibrated in the above buffer. Imidazole (Sigma) was added to a final concentration of 5 mM, Pefabloc (Roche Molecular Biochemicals, Lewes, UK) was added to 0.1 g/L and the sample was mixed gently overnight at 4° C. The nickel agarose resin was then loaded onto an empty column and washed with 50 mM sodium phosphate pH 8.0, 300 mM NaCl until the absorption at 280 nm reached the baseline level of the above-mentioned buffer. The column was then washed with 4 column volumes of 50 mM sodium phosphate pH 8.0, 50 mM NaCl, 15 mM imidazole. The BACE protein was then eluted with a linear imidazole concentration gradient, five column volumes in size, from 50 mM sodium phosphate pH 8.0, 50 mM NaCl to 50 mM sodium phosphate pH 8.0, 50 mM NaCl, 300 mM imidazole, typically resulting in an absorption peak at 280 nm, corresponding to the BACE protein and other co-purified contaminating proteins.

After Nickel chromatography the BACE protein was purified by anion exchange chromatography, fractions corresponding to the BACE protein containing the peak were buffer exchanged on a XK-50 column (Amersham Pharmacia Biotech) containing 200 ml sephacryl S-200, into 25 mM Tris pH 8.1, 5 mM NaCl (Anion loading buffer) and then loaded onto a Resource Q anion exchange column (Amersham Pharmacia Biotech). The protein was eluted with a 35 column volume linear salt gradient from 100% loading buffer to 100% elution buffer (25 mM Tris pH8.1, 400 mM NaCl). Fractions were pooled based on analysis by SDS-PAGE.

The pooled fractions were dialysed against HIC loading buffer: 50 mM Tris pH 8.1, 50 mM NaCl, 0.9 M (NH₄)₂SO₄. The final sample was then loaded onto a HIC column (Source PHE, Amersham Pharmacia Biotech) equilibrated with HIC loading buffer, and washed to a stable baseline with loading buffer. The differentially processed forms of the BACE generated by proteolytic activity were eluted as separate peaks using a 35 column volume gradient from loading buffer to 50 mM Tris pH 8.1, 50 mM NaCl.

Peak fractions containing the required form of BACE protein were pooled based on analysis by SDS-PAGE and dialysed against 50 mM HEPES pH 8.0, 100 mM NaCl, 1 Mm DTT.

The dialysed sample was concentrated to a 12 ml volume and loaded immediately onto a Sephacryl S-200 column (Amersham Pharmacia Biotech) pre-equilibrated with 50 mM HEPES pH 8.0, 100 mM NaCl, 1 Mm DTT and stored at 4° C. after elution.

The purified BACE eluted from the size exclusion column at the position expected for monomeric protein and was monodisperse when subjected to dynamic light scattering. SDS-PAGE showed the representative samples after the different column steps is shown in FIG. 5.

Example 2 Crystallization of BACE

A. Crystallization

Crystals of BACE were grown by the hanging drop vapor diffusion method, in which 1 μl of protein solution and 1 μl of well solution (100 mM Tri-sodium citrate, pH 5.8, 200 mM ammonium iodide and 18-20% PEG monomethyl ether, 5K) were placed on a cover slip and equilibrated over 1 ml of well solution at 20° C. The protein concentration was 5 mg/ml in 50 mM HEPES, pH 8.0, 150 mM NaCl, 1 mM DTT. Small prismatic crystals appeared after two days and grew to a maximum size of 0.2 mm×0.1 mm×0.1 mm after two weeks. (FIGS. 3A and B).

Crystals of BACE complexed with OM99-2 (Ghosh et al., 2000) were grown using a similar method. BACE, at a concentration of 0.2 mg/ml was mixed with an excess of inhibitor and kept at 4° C. for 1 hour. The BACE protein was then concentrated to 5 mg/ml using a centricon column with a molecular weight cutoff of 10000, and the crystallization drops set up as before. Crystals with the same morphology as the uncomplexed enzyme appeared after two days and grew to a maximum size of 0.25 mm×0.1 mm×0.1 mm.

Both BACE with no inhibitor and BACE in the presence of OM99-2 formed crystals belonging to space group C2. The cell dimensions for the crystals grown in the presence of OM99-2 (FIG. 3A) were a=236.63 Å, b=105.02 Å, c=62.59 Å and β=101.32°, and the asymmetric unit of the crystal contained 3 copies of BACE. The cell dimensions for the crystals grown in the absence of any inhibitor (FIG. 3B) were a=238.3 Å, b=107.4 Å, c=60.4 Å, b=101.89°.

Apo-Soaked Crystal Experimental: Crystals of BACE, grown in the absence of inhibitor as previously described were soaked in a solution of inhibitor for 1 hour. The inhibitor was previously dissolved in DMSO to a concentration of 10 mM and then diluted 1 in 10 in the well solution as previously described. 20 microliters of this was placed in a microbridge, and an apo BACE crystal added to it. The microbridge was sealed and incubated for 3.5 hours.

B. Data Collection and Processing

The structure of BACE as a complex with OM99-2 was solved to 2.6 Å using the method of molecular replacement. Data was collected at 100K on crystals frozen in a solution containing a suitable cryoprotectant. The cryoprotectant solution consisted of 100 mM Tri-sodium citrate, pH 5.8, 200 mM ammonium iodide, 15% PEG monomethyl ether 5K, and 20% PEG 400. The crystal was immersed in the cryoprotectant solution for 30 seconds prior to freezing in liquid nitrogen for the purposes of storage. Data was collected to 2.6 Å on beamline ID14-2 at the European Synchrotron Radiation Facility using a MARCCD detector, with a wavelength of 0.934 Å and processed using D*trek (Pflugrath, J., 1999). The dataset was scaled using SCALA and the intensities converted to structure factors using TRUNCATE, from the CCP4 suite of programs (Collaborative Computing Project, 1994). Statistics for the processed data are listed in Table 1.

TABLE 1 Data collection statistics for BACE crystallized as a complex with OM99-2. Resolution 2.6 Å Mosaicity 0.8° Completeness 95.4% Multiplicity 1.96 Rmerge 0.087

This table shows that the experimental data used to solve the structure of the BACE/OM99-2 complex was of good quality and sufficient completeness to enable a reliable structure to be derived from it.

Apo-Crystal Experimental: The soaked crystal was then removed, dipped in a solution containing a cryoprotectant mixed with the inhibitor in DMSO, in the same proportions as previously (100 mM Tri-sodium citrate, pH 5.8, 200 mM ammonium iodide, 15% PEG monomethyl ether 5K and 20% PEG 400). The crystal was then frozen as for the OM99-2 crystals and data collected. Data was collected on station ID14-1 at the ESRF using an ADSC detector.

C. Structure Determination and Refinement

The structure of the BACE/OM99-2 complex was solved by molecular replacement using the program AMORE (Navaza, 1994). The molecular replacement solution was not as straightforward application of AMORE. Rather, it involved the use of CCP4, the programs POLARRFN and RFCORR, as well as inventive effort, e.g., to so use this combination and especially to so use RFCORR (Collaborative Computing Project, 1994). The search model was the A chain of 1FKN (Hong et al. 2000) taken from the pdb database (1FKN.pdb); a search radius of 35 Å and a resolution range of 8.0-3.0 Å being used to give a solution with an Rfactor of 0.38 and a correlation coefficient of 0.714. This solution was used as a starting point for refinement using the program REFMAC5, also from the CCP4 suite of programs (Collaborative Computing Project, 1994). The inhibitor, OM99-2 was absent from the initial model, and convincing electron density in the active site of all three copies of BACE was observed in difference Fourier maps. This provided confirmation that the solution to the molecular replacement was correct. Cycles of refinement of the structure were alternated with manual rebuilding of the model using QUANTA (1994, San Diego, Calif.: Molecular Simulations). The N- and C-termini of the molecule were rebuilt, asparagine residues 153, 172, 223 and 354 were remodeled as glutamine residues. The inhibitor molecule was built into the electron density with QUANTA (1994, San Diego, Calif.: Molecular Simulations), and finally the water molecules were added using DenInt (Astex internal software library). Refinement statistics are shown in Table 2 Å.

Data collected with apo crystals soaked with inhibitor were processed using D*Trek (Pflugrath, J., 1999), and the intensities converted to structure factors using TRUNCATE, from the CCP4 suite of programs (Collaborative Computing Project, 1994).

The space group of these crystals has changed from the apo form (space group C2) to P2, with cell dimensions a=62.8, b=106.8 Å, c=227.9 Å and β=93.63°. The statistics are given in Table 2B below

The structure of the soaked BACE/inhibitor complex was solved by molecular replacement using the programs AMORE (Navaza, 1994). The search model was a monomer from the BACE/OM99-2 structure. A search radius of 35 Å and a resolution range of 12-4 Å gave a solution with and Rfactor of 0.421 and a correlation coefficient of 0.638. There are 6 monomers in the asymmetric unit. This solution was used as a starting point for refinement using the programs CNX (1999, San Diego, Calif.: Molecular Simulations) and BUSTER (Bricogne, 1993, Acta Cryst. D49, 37-60). The final refinement statistics are given in Table 2C below.

TABLE 2A Final refinement statistics for The C2 BACE/OM99-2 complex. Rwork 0.231 Rfree 0.312 RMS bond deviation from ideality 0.022 Å RMS bond angle deviation from ideality 2.4° Average Bfactor for structure  53.4 Å²

This data indicates that the final structure is of good quality, the Rfactors indicating that the refined model has a good agreement with the experimental data. The RMS deviations from ideality indicate that the geometry of the model is good and in agreement with previous data.

TABLE 2B Statistics for P2₁ BACE/inhibitor complex Resolution 3.0 Å Mosaicity 0.45 Completeness   98% Multiplicity 2.3 Rmerge 13.8% The statistics show the space group has changed from the apo-BACE form (space group C2) to P2₁ with cell dimensions a = 62.8, b = 106.8 Å, c = 227.9 Å and β = 93.63°″

TABLE 2C Final refinement statistics for P2₁ BACE/inhibitor complex. Rwork 30.3% Rfree 34.5% RMS bond deviation from ideality 0.015 Å RMS bond angle deviation from ideality 1.027° Average Bfactor for structure  35.6 Å

Results and Discussion

The final model of the C2 crystal structure of BACE/OM99-2 contained 1161 residues in 3 protein molecules, 3 copies of OM99-2 and 183 ordered water molecules, an Rfactor of 0.231 and a free Rfactor of 0.312. The asymmetric unit contained 3 copies of the BACE molecule (FIGS. 4A and B), A, B and C, two of which, B and C, form a dimer related by a non-crystallographic two-fold axis. Molecule A forms a similar dimer with its crystallographically related molecule A in an adjacent asymmetric unit. The positions of residues −2 to 385 of all three independent molecules are well defined by the electron density. There is no evidence of density beyond serine −2 for any of the molecules, and the N-terminus of molecules A and C interact with OD1 of asparagine 98 in symmetry related molecules B and A respectively. The N-terminus of molecule B is in a region of solvent. This lack of electron density for all three molecules indicates that the other residues from the N-terminus have no ordered structure. The electron density at the C-terminus ends with residue Asn 385, with no evidence for further terminal residues for the His-tag.

The bilobal structure of individual molecules of BACE as solved in the C2 crystal form, is essentially the same as that of memapsin 2 as solved in the P2₁ crystal form. The interactions made by the specific mutations are shown in Table 3. These include the N and C-terminus and the Asn

Gln mutations in each of the three independent units. The mutation of Asn111 to Gln111 appears to be important in the formation of the crystals in that Gln111 of molecule B lies close to the crystallographic two-fold axis and interacts with the symmetry related B:111. Difference electron density was initially seen for OM99-2 in all three molecules, and the inhibitor molecule was fitted to this. Its position was well defined from P4 to P4′ for molecules A and C P4′ was less well defined in molecule B. The active site is open to solvent for molecules B and C, but that of molecule A is partially occluded (close to P4′) by a symmetry related molecule C.

TABLE 3 Interactions made by mutated residues in BACE. Monomers A B and C are described in column 1 and the residues with which they interact in column 2. Mutated or different residue (from Interactions formed by mutated or different Tang sequence) residue. A: 92 B: 142, a crystallographic symmetry related lysine A: 111 No direct interactions A: 162 No direct interactions A: 293 No direct interactions B: 92 No direct interactions B: 111 B: 111 symmetry related glutamine, lies on 2-fold B: 162 Close to crystallographic symmetry axis, but no direct interactions B: 293 Points towards solvent channel C: 92 A: 142 a crystallographic symmetry related lysine C: 111 No direct interactions C: 162 No direct interactions C: 293 No direct interactions A: Nterm Nterm makes interaction with symmetry related OD1 of Asn98B B: Nterm Nothing beyond residue ser-2 C: Nterm N-term makes interaction with symmetry related OD1 of Asn98A A: Cterm No interactions B: Cterm No interactions C: Cterm No interactions.

This table shows that most of the mutations made to the BACE enzyme are at positions which do not affect the crystal packing. The major exception is in the case of residue B111, which is shown to interact across the crystallographic two-fold axis with its symmetry related molecule.

TABLE 4 Comparison of Tang/Hong structure with present invention. Measurement Tang/Hong Present Invention Inhibitor OM99-2 Crystallized in presence of Crystallized in presence and inhibitor OM99-2 absence of OM99-2. Crystallisation conditions 5 mg/ml protein, 5-fold molar 6 mg/ml protein, excess excess of OM99-2 OM99-2, 0.2M ammonium 0.2M ammonium sulphate, 22.5% iodide, 20% PEGMME5K, PEG8K, 0.1M Na-cacodylate, 0.1 M tri-sodium citrate, pH pH 7.4 5.6-5.8 Space Group P2₁ C2 Cell dimensions(Å) a = 53.7, b = 85.9, 109.2, beta = 101.4° a = 236.6, b = 105.0, c = 62.59, beta = 101.3° Resolution 1.9 Å 2.6 Å pH of crystallization 7.4 5.8 Molecules in asymmetric 2 3 unit N-terminus −28p −33p C-terminus No His-tag His-tag Mutations None known Asn→Gln (glycosylation sites) Dimer interface Around N209 Same dimer interface B: 111 environment solvent exposed interact across 2-fold axis. Accessibility of active site Both molecules accessible 1 accessible, 1 inaccessible, 1 partly accessible OM99-2 binding mode As described in Science, 2000 Binding modes similar, but 290 150-153 P4′ is more ordered.

This further demonstrates that the present invention is novel, nonobvious and inventive over the Tang PCT publications and the Hong Science article.

The following Table 5 provides atomic co-ordinates of BACE.

TABLE 5 Atomic co-ordinates. HEADER ---- XX-XXX-XX xxxx COMPND --- REMARK 3 REMARK 3 REFINEMENT. REMARK 3  PROGRAM   : REFMAC 5.0 REMARK 3 REMARK 3 REMARK 3   REFINEMENT TARGET: MAXIMUM LIKELIHOOD REMARK 3 REMARK 3  DATA USED IN REFINEMENT. REMARK 3  RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3  RESOLUTION RANGE LOW (ANGSTROMS) : 119.52 REMARK 3  DATA CUTOFF (SIGMA(F)) : NONE REMARK 3  COMPLETENESS FOR RANGE (%) : 93.40 REMARK 3  NUMBER OF REFLECTIONS : 40971 REMARK 3 REMARK 3  FIT TO DATA USED IN REFINEMENT. REMARK 3  CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3  FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3  R VALUE (WORKING + TEST SET) : 0.23480 REMARK 3  R VALUE (WORKING SET) : 0.23064 REMARK 3  FREE R VALUE : 0.31230 REMARK 3  FREE R VALUE TEST SET SIZE (%) : 5.1 REMARK 3  FREE R VALUE TEST SET COUNT : 2184 REMARK 3 REMARK 3  FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3  TOTAL NUMBER OF BINS USED : 20 REMARK 3  BIN RESOLUTION RANGE HIGH : 2.601 REMARK 3  BIN RESOLUTION RANGE LOW : 2.668 REMARK 3  REFLECTION IN BIN (WORKING SET) : 2799 REMARK 3  BIN R VALUE (WORKING SET) : 0.282 REMARK 3  BIN FREE R VALUE SET COUNT : 145 REMARK 3  BIN FREE R VALUE : 0.403 REMARK 3 REMARK 3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3  ALL ATOMS : 9531 REMARK 3 REMARK 3  B VALUES. REMARK 3  FROM WILSON PLOT (A**2) : NULL REMARK 3  MEAN B VALUE (OVERALL, A**2) : 50.041 REMARK 3  OVERALL ANISOTROPIC B VALUE. REMARK 3   B11 (A**2) : −4.02 REMARK 3   B22 (A**2) : −0.68 REMARK 3   B33 (A**2) : 4.60 REMARK 3   B12 (A**2) : 0.00 REMARK 3   B13 (A**2) : 0.24 REMARK 3   B23 (A**2) : 0.00 REMARK 3 REMARK 3  ESTIMATED OVERALL COORDINATE ERROR. REMARK 3  ESU BASED ON R VALUE (A) : 1.142 REMARK 3  ESU BASED ON FREE R VALUE (A) : 0.408 REMARK 3  ESU BASED ON MAXIMUM LIKELIHOOD (A) : 0.512 REMARK 3  ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2) : 23.746 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3  CORRELATION COEFFICIENT FO-FC : 0.925 REMARK 3  CORRELATION COEFFICIENT FO-FC FREE : 0.866 REMARK 3 REMARK 3  RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3  BOND LENGTHS REFINED ATOMS (A) : 9582 ; 0.022 ; 0.021 REMARK 3  BOND LENGTHS OTHERS (A) : 8445 ; 0.001 ; 0.020 REMARK 3  BOND ANGLES REFINED ATOMS (DEGREES) : 13011 ; 2.356 ; 1.945 REMARK 3  BOND ANGLES OTHERS (DEGREES) : 19641 ; 0.973 ; 3.000 REMARK 3  TORSION ANGLES, PERIOD 1 (DEGREES) : 1173 ; 6.207 ; 3.000 REMARK 3  TORSION ANGLES, PERIOD 3 (DEGREES) : 1607 ; 21.762 ; 15.000 REMARK 3  CHIRAL-CENTER RESTRAINTS (A**3) : 1422 ; 0.121 ; 0.200 REMARK 3  GENERAL PLANES REFINED ATOMS (A) : 10704 ; 0.003 ; 0.020 REMARK 3  GENERAL PLANES OTHERS (A) : 2010 ; 0.001 ; 0.020 REMARK 3  NON-BONDED CONTACTS REFINED ATOMS (A) : 2679 ; 0.339 ; 0.300 REMARK 3  NON-BONDED CONTACTS OTHERS (A) : 9125 ; 0.264 ; 0.300 REMARK 3  NON-BONDED TORSION OTHERS (A) : 3 ; 0.093 ; 0.500 REMARK 3  H-BOND (X . . . Y) REFINED ATOMS (A) : 834 ; 0.226 ; 0.500 REMARK 3  H-BOND (X . . . Y) OTHERS (A) : 35 ; 0.161 ; 0.500 REMARK 3  SYMMETRY VDW REFINED ATOMS (A) : 20 ; 0.299 ; 0.300 REMARK 3  SYMMETRY VDW OTHERS (A) : 62 ; 0.395 ; 0.300 REMARK 3  SYMMETRY H-BOND REFINED ATOMS (A) : 10 ; 0.351 ; 0.500 REMARK 3  SYMMETRY H-BOND OTHERS (A) : 2 ; 0.229 ; 0.500 REMARK 3 REMARK 3  ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3  MAIN-CHAIN BOND REFINED ATOMS (A**2) : 5889 ; 3.453 ; 5.000 REMARK 3  MAIN-CHAIN ANGLE REFINED ATOMS (A**2) : 9501 ; 5.002 ; 6.000 REMARK 3  SIDE-CHAIN BOND REFINED ATOMS (A**2) : 3693 ; 4.504 ; 6.000 REMARK 3  SIDE-CHAIN ANGLE REFINED ATOMS (A**2) : 3510 ; 6.644 ; 7.500 REMARK 3 REMARK 3  NCS RESTRAINTS STATISTICS REMARK 3  NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 REMARK 3  TLS DETAILS REMARK 3  NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 REMARK 3  BULK SOLVENT MODELLING. REMARK 3  METHOD USED: BABINET MODEL WITH MASK REMARK 3  PARAMETERS FOR MASK CALCULATION REMARK 3  VDW PROBE RADIUS : 1.40 REMARK 3  ION PROBE RADIUS : 0.80 REMARK 3  SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3  OTHER REFINEMENT REMARKS: REMARK 3  HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS REMARK 3 CISPEP 1 SER A 22 PRO A 23 0.00 CISPEP 2 ARG A 128 PRO A 129 0.00 CISPEP 3 GLY A 372 PRO A 373 0.00 SSBOND 1 CYS A 155 CYS A 359 SSBOND 2 CYS A 217 CYS A 382 SSBOND 3 CYS A 269 CYS A 319 CISPEP 4 SER B 22 PRO B 23 0.00 CISPEP 5 ARG B 128 PRO B 129 0.00 CISPEP 6 GLY B 372 PRO B 373 0.00 SSBOND 4 CYS B 155 CYS B 359 SSBOND 5 CYS B 217 CYS B 382 SSBOND 6 CYS B 269 CYS B 319 CISPEP 7 SER C 22 PRO C 23 0.00 CISPEP 8 ARG C 128 PRO C 129 0.00 CISPEP 9 GLY C 372 PRO C 373 0.00 SSBOND 7 CYS C 155 CYS C 359 SSBOND 8 CYS C 217 CYS C 382 SSBOND 9 CYS C 269 CYS C 319 CRYST1 236.630 105.020 62.590 90.00 101.32 90.00 C 1 2 1 SCALE1 0.004226 0.000000 0.000846 0.00000 SCALE2 0.000000 0.009522 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016294 0.00000 ATOM 1 N SER A −2 17.150 −22.147 12.324 1.00 34.66 N ATOM 3 CA SER A −2 18.119 −22.435 11.206 1.00 39.63 C ATOM 5 CB SER A −2 17.523 −22.274 9.764 1.00 43.29 C ATOM 8 OG SER A −2 17.135 −20.963 9.336 1.00 46.72 O ATOM 10 C SER A −2 19.507 −21.833 11.428 1.00 41.17 C ATOM 11 O SER A −2 20.479 −22.532 11.183 1.00 58.68 O ATOM 14 N PHE A −1 19.649 −20.573 11.846 1.00 44.17 N ATOM 16 CA PHE A −1 20.910 −20.078 12.436 1.00 38.71 C ATOM 18 CB PHE A −1 21.526 −19.134 11.408 1.00 40.94 C ATOM 21 CG PHE A −1 21.855 −19.846 10.113 1.00 34.80 C ATOM 22 CD1 PHE A −1 20.860 −20.099 9.181 1.00 33.03 C ATOM 24 CE1 PHE A −1 21.162 −20.772 8.020 1.00 44.01 C ATOM 26 CZ PHE A −1 22.473 −21.212 7.783 1.00 40.67 C ATOM 28 CE2 PHE A −1 23.455 −20.971 8.704 1.00 41.60 C ATOM 30 CD2 PHE A −1 23.146 −20.297 9.864 1.00 41.30 C ATOM 32 C PHE A −1 20.809 −19.447 13.873 1.00 48.71 C ATOM 33 O PHE A −1 21.220 −18.282 14.082 1.00 52.36 O ATOM 34 N VAL A 0 20.309 −20.241 14.848 1.00 50.55 N ATOM 36 CA VAL A 0 19.944 −19.816 16.243 1.00 50.67 C ATOM 38 CB VAL A 0 19.252 −20.960 17.037 1.00 54.02 C ATOM 40 CG1 VAL A 0 17.851 −21.180 16.565 1.00 59.81 C ATOM 44 CG2 VAL A 0 20.016 −22.211 16.926 1.00 54.45 C ATOM 48 C VAL A 0 21.047 −19.362 17.171 1.00 47.63 C ATOM 49 O VAL A 0 20.864 −18.642 18.174 1.00 47.19 O ATOM 50 N GLU A 1 22.195 −19.867 16.855 1.00 47.53 N ATOM 52 CA GLU A 1 23.444 −19.407 17.410 1.00 45.35 C ATOM 54 CB GLU A 1 24.489 −19.994 16.474 1.00 46.47 C ATOM 57 CG GLU A 1 23.893 −20.218 15.070 1.00 37.41 C ATOM 60 CD GLU A 1 24.627 −21.224 14.257 1.00 36.90 C ATOM 61 OE1 GLU A 1 23.964 −21.926 13.487 1.00 29.13 O ATOM 62 OE2 GLU A 1 25.868 −21.304 14.382 1.00 44.61 O ATOM 63 C GLU A 1 23.573 −17.933 17.273 1.00 44.07 C ATOM 64 O GLU A 1 23.950 −17.227 18.185 1.00 47.47 O ATOM 65 N MET A 2 23.211 −17.471 16.087 1.00 48.56 N ATOM 67 CA MET A 2 23.536 −16.135 15.628 1.00 44.26 C ATOM 69 CB MET A 2 23.886 −16.271 14.156 1.00 46.78 C ATOM 72 CG MET A 2 24.968 −17.287 13.979 1.00 46.07 C ATOM 75 SD MET A 2 25.968 −17.107 12.614 1.00 44.85 S ATOM 76 CE MET A 2 25.329 −18.379 11.580 1.00 47.63 C ATOM 80 C MET A 2 22.441 −15.143 15.782 1.00 44.93 C ATOM 81 O MET A 2 22.694 −13.949 15.928 1.00 44.66 O ATOM 82 N VAL A 3 21.213 −15.640 15.739 1.00 44.93 N ATOM 84 CA VAL A 3 20.054 −14.792 15.864 1.00 42.74 C ATOM 86 CB VAL A 3 18.787 −15.658 15.886 1.00 41.67 C ATOM 88 CG1 VAL A 3 17.725 −15.033 16.713 1.00 37.90 C ATOM 92 CG2 VAL A 3 18.319 −15.879 14.506 1.00 37.99 C ATOM 96 C VAL A 3 20.178 −14.009 17.153 1.00 43.63 C ATOM 97 O VAL A 3 20.474 −14.592 18.164 1.00 38.26 O ATOM 98 N ASP A 4 19.953 −12.696 17.100 1.00 45.42 N ATOM 100 CA ASP A 4 20.026 −11.823 18.267 1.00 45.76 C ATOM 102 CB ASP A 4 19.330 −12.445 19.482 1.00 53.20 C ATOM 105 CG ASP A 4 17.803 −12.638 19.299 1.00 65.48 C ATOM 106 OD1 ASP A 4 17.222 −13.367 20.153 1.00 74.58 O ATOM 107 OD2 ASP A 4 17.098 −12.144 18.367 1.00 62.82 O ATOM 108 C ASP A 4 21.417 −11.521 18.742 1.00 45.27 C ATOM 109 O ASP A 4 21.561 −11.253 19.923 1.00 50.54 O ATOM 110 N ASN A 5 22.446 −11.539 17.888 1.00 41.26 N ATOM 112 CA ASN A 5 23.800 −11.339 18.387 1.00 35.44 C ATOM 114 CB ASN A 5 24.717 −12.331 17.728 1.00 37.18 C ATOM 117 CG ASN A 5 24.759 −12.137 16.262 1.00 39.34 C ATOM 118 OD1 ASN A 5 23.857 −11.544 15.736 1.00 38.77 O ATOM 119 ND2 ASN A 5 25.811 −12.618 15.586 1.00 35.75 N ATOM 122 C ASN A 5 24.387 −9.939 18.228 1.00 38.11 C ATOM 123 O ASN A 5 25.585 −9.733 18.468 1.00 37.36 O ATOM 124 N LEU A 6 23.549 −8.980 17.833 1.00 38.41 N ATOM 126 CA LEU A 6 23.939 −7.572 17.679 1.00 33.19 C ATOM 128 CB LEU A 6 23.468 −7.098 16.340 1.00 26.93 C ATOM 131 CG LEU A 6 24.086 −7.474 15.007 1.00 27.79 C ATOM 133 CD1 LEU A 6 23.717 −6.361 14.059 1.00 27.07 C ATOM 137 CD2 LEU A 6 25.567 −7.678 14.998 1.00 22.82 C ATOM 141 C LEU A 6 23.293 −6.664 18.756 1.00 36.63 C ATOM 142 O LEU A 6 22.262 −7.002 19.284 1.00 46.36 O ATOM 143 N ARG A 7 23.875 −5.513 19.075 1.00 41.26 N ATOM 145 CA ARG A 7 23.290 −4.554 20.038 1.00 40.38 C ATOM 147 CB ARG A 7 23.833 −4.740 21.451 1.00 44.61 C ATOM 150 CG ARG A 7 23.137 −5.889 22.209 1.00 57.60 C ATOM 153 CD ARG A 7 23.680 −6.233 23.630 1.00 65.11 C ATOM 156 NE ARG A 7 25.141 −6.399 23.667 1.00 76.98 N ATOM 158 CZ ARG A 7 25.947 −6.088 24.706 1.00 82.43 C ATOM 159 NH1 ARG A 7 25.468 −5.589 25.845 1.00 83.89 N ATOM 162 NH2 ARG A 7 27.256 −6.284 24.603 1.00 82.28 N ATOM 165 C ARG A 7 23.627 −3.196 19.506 1.00 37.09 C ATOM 166 O ARG A 7 24.329 −3.119 18.506 1.00 39.77 O ATOM 167 N GLY A 8 23.139 −2.136 20.139 1.00 41.94 N ATOM 169 CA GLY A 8 23.316 −0.770 19.642 1.00 46.85 C ATOM 172 C GLY A 8 22.093 −0.084 18.994 1.00 53.78 C ATOM 173 O GLY A 8 20.926 −0.485 19.254 1.00 49.83 O ATOM 174 N LYS A 9 22.345 0.968 18.169 1.00 56.06 N ATOM 176 CA LYS A 9 21.272 1.585 17.372 1.00 58.92 C ATOM 178 CB LYS A 9 20.312 2.324 18.314 1.00 65.60 C ATOM 181 CG LYS A 9 20.817 3.673 18.821 1.00 71.58 C ATOM 184 CD LYS A 9 19.785 4.339 19.712 1.00 76.80 C ATOM 187 CE LYS A 9 20.460 5.364 20.645 1.00 81.30 C ATOM 190 NZ LYS A 9 19.689 5.694 21.898 1.00 79.59 N ATOM 194 C LYS A 9 21.662 2.497 16.157 1.00 57.10 C ATOM 195 O LYS A 9 22.801 2.893 15.996 1.00 53.27 O ATOM 196 N SER A 10 20.691 2.865 15.312 1.00 58.39 N ATOM 198 CA SER A 10 21.022 3.699 14.153 1.00 59.37 C ATOM 200 CB SER A 10 19.791 4.146 13.417 1.00 63.36 C ATOM 203 OG SER A 10 18.789 4.510 14.345 1.00 73.85 O ATOM 205 C SER A 10 21.724 4.919 14.635 1.00 61.22 C ATOM 206 O SER A 10 22.617 5.434 13.956 1.00 64.24 O ATOM 207 N GLY A 11 21.279 5.370 15.818 1.00 60.57 N ATOM 209 CA GLY A 11 21.807 6.519 16.499 1.00 49.93 C ATOM 212 C GLY A 11 23.308 6.455 16.511 1.00 53.46 C ATOM 213 O GLY A 11 23.952 7.390 16.020 1.00 42.23 O ATOM 214 N GLN A 12 23.864 5.357 17.052 1.00 51.87 N ATOM 216 CA GLN A 12 25.313 5.236 17.206 1.00 51.01 C ATOM 218 CB GLN A 12 25.656 5.405 18.653 1.00 50.53 C ATOM 221 CG GLN A 12 25.254 6.733 19.190 1.00 53.21 C ATOM 224 CD GLN A 12 25.455 6.803 20.686 1.00 53.35 C ATOM 225 OE1 GLN A 12 25.155 5.827 21.393 1.00 51.66 O ATOM 226 NE2 GLN A 12 25.960 7.941 21.174 1.00 44.80 N ATOM 229 C GLN A 12 25.939 3.922 16.774 1.00 54.07 C ATOM 230 O GLN A 12 27.027 3.567 17.245 1.00 62.50 O ATOM 231 N GLY A 13 25.264 3.200 15.897 1.00 49.53 N ATOM 233 CA GLY A 13 25.763 1.941 15.424 1.00 43.84 C ATOM 236 C GLY A 13 25.250 0.639 16.051 1.00 44.95 C ATOM 237 O GLY A 13 24.875 0.584 17.216 1.00 46.26 O ATOM 238 N TYR A 14 25.256 −0.415 15.219 1.00 37.84 N ATOM 240 CA TYR A 14 25.070 −1.777 15.613 1.00 38.80 C ATOM 242 CB TYR A 14 24.228 −2.432 14.566 1.00 43.50 C ATOM 245 CG TYR A 14 22.871 −1.882 14.579 1.00 40.77 C ATOM 246 CD1 TYR A 14 22.592 −0.703 13.951 1.00 43.94 C ATOM 248 CE1 TYR A 14 21.372 −0.202 13.967 1.00 47.36 C ATOM 250 CZ TYR A 14 20.411 −0.876 14.617 1.00 48.18 C ATOM 251 OH TYR A 14 19.178 −0.405 14.638 1.00 49.40 O ATOM 253 CE2 TYR A 14 20.659 −2.045 15.246 1.00 45.91 C ATOM 255 CD2 TYR A 14 21.883 −2.532 15.224 1.00 39.22 C ATOM 257 C TYR A 14 26.388 −2.532 15.658 1.00 39.26 C ATOM 258 O TYR A 14 27.167 −2.474 14.703 1.00 42.82 O ATOM 259 N TYR A 15 26.610 −3.291 16.734 1.00 38.03 N ATOM 261 CA TYR A 15 27.905 −3.917 16.966 1.00 33.51 C ATOM 263 CB TYR A 15 28.655 −2.978 17.885 1.00 35.56 C ATOM 266 CG TYR A 15 28.090 −2.934 19.303 1.00 38.03 C ATOM 267 CD1 TYR A 15 28.139 −4.052 20.116 1.00 40.86 C ATOM 269 CE1 TYR A 15 27.641 −4.030 21.388 1.00 42.66 C ATOM 271 CZ TYR A 15 27.086 −2.892 21.882 1.00 43.41 C ATOM 272 OH TYR A 15 26.593 −2.912 23.176 1.00 40.43 O ATOM 274 CE2 TYR A 15 27.023 −1.757 21.096 1.00 41.62 C ATOM 276 CD2 TYR A 15 27.522 −1.787 19.816 1.00 38.35 C ATOM 278 C TYR A 15 27.828 −5.307 17.605 1.00 32.70 C ATOM 279 O TYR A 15 26.901 −5.608 18.296 1.00 33.91 O ATOM 280 N VAL A 16 28.832 −6.148 17.398 1.00 38.82 N ATOM 282 CA VAL A 16 28.763 −7.554 17.781 1.00 36.77 C ATOM 284 CB VAL A 16 28.826 −8.444 16.556 1.00 41.62 C ATOM 286 CG1 VAL A 16 30.280 −8.691 16.154 1.00 41.85 C ATOM 290 CG2 VAL A 16 28.212 −9.788 16.804 1.00 46.15 C ATOM 294 C VAL A 16 29.993 −7.861 18.579 1.00 37.30 C ATOM 295 O VAL A 16 30.995 −7.188 18.388 1.00 37.00 O ATOM 296 N GLU A 17 29.898 −8.861 19.461 1.00 32.42 N ATOM 298 CA GLU A 17 30.974 −9.315 20.309 1.00 37.70 C ATOM 300 CB GLU A 17 30.339 −10.181 21.407 1.00 41.03 C ATOM 303 CG GLU A 17 31.155 −10.529 22.669 1.00 41.42 C ATOM 306 CD GLU A 17 30.339 −11.380 23.676 1.00 53.52 C ATOM 307 OE1 GLU A 17 29.191 −10.947 24.041 1.00 62.24 O ATOM 308 OE2 GLU A 17 30.807 −12.484 24.114 1.00 47.86 O ATOM 309 C GLU A 17 32.000 −10.162 19.538 1.00 39.46 C ATOM 310 O GLU A 17 31.637 −11.032 18.796 1.00 39.58 O ATOM 311 N MET A 18 33.292 −9.925 19.711 1.00 44.75 N ATOM 313 CA MET A 18 34.301 −10.791 19.082 1.00 41.54 C ATOM 315 CB MET A 18 34.838 −10.160 17.802 1.00 41.81 C ATOM 318 CG MET A 18 33.836 −9.447 16.939 1.00 41.86 C ATOM 321 SD MET A 18 34.600 −8.833 15.425 1.00 50.01 S ATOM 322 CE MET A 18 35.054 −10.282 14.687 1.00 45.99 C ATOM 326 C MET A 18 35.466 −10.864 20.038 1.00 43.74 C ATOM 327 O MET A 18 35.596 −10.003 20.877 1.00 49.03 O ATOM 328 N THR A 19 36.325 −11.868 19.937 1.00 45.52 N ATOM 330 CA THR A 19 37.572 −11.813 20.698 1.00 45.53 C ATOM 332 CB THR A 19 37.747 −13.023 21.572 1.00 45.33 C ATOM 334 OG1 THR A 19 38.226 −14.108 20.759 1.00 50.86 O ATOM 336 CG2 THR A 19 36.463 −13.451 22.142 1.00 40.03 C ATOM 340 C THR A 19 38.763 −11.893 19.814 1.00 45.19 C ATOM 341 O THR A 19 38.693 −12.560 18.785 1.00 47.81 O ATOM 342 N VAL A 20 39.865 −11.267 20.243 1.00 46.54 N ATOM 344 CA VAL A 20 41.181 −11.385 19.556 1.00 46.08 C ATOM 346 CB VAL A 20 41.657 −10.076 19.031 1.00 44.11 C ATOM 348 CG1 VAL A 20 40.734 −9.589 17.998 1.00 51.93 C ATOM 352 CG2 VAL A 20 41.687 −9.058 20.110 1.00 51.31 C ATOM 356 C VAL A 20 42.286 −11.858 20.490 1.00 48.60 C ATOM 357 O VAL A 20 42.242 −11.643 21.715 1.00 49.22 O ATOM 358 N GLY A 21 43.293 −12.505 19.944 1.00 49.38 N ATOM 360 CA GLY A 21 44.406 −12.881 20.791 1.00 51.59 C ATOM 363 C GLY A 21 44.282 −14.129 21.652 1.00 51.96 C ATOM 364 O GLY A 21 43.216 −14.659 21.926 1.00 48.04 O ATOM 365 N SER A 22 45.430 −14.604 22.087 1.00 51.50 N ATOM 367 CA SER A 22 45.462 −15.754 22.916 1.00 54.86 C ATOM 369 CB SER A 22 46.238 −16.846 22.176 1.00 58.86 C ATOM 372 OG SER A 22 45.861 −16.909 20.794 1.00 60.35 O ATOM 374 C SER A 22 46.156 −15.336 24.203 1.00 54.80 C ATOM 375 O SER A 22 47.217 −14.720 24.127 1.00 53.24 O ATOM 376 N PRO A 23 45.551 −15.566 25.378 1.00 54.99 N ATOM 377 CA PRO A 23 44.141 −15.954 25.547 1.00 56.89 C ATOM 379 CB PRO A 23 43.945 −15.868 27.056 1.00 54.92 C ATOM 382 CG PRO A 23 45.075 −15.007 27.510 1.00 52.28 C ATOM 385 CD PRO A 23 46.218 −15.491 26.680 1.00 53.62 C ATOM 388 C PRO A 23 43.244 −14.889 24.943 1.00 56.89 C ATOM 389 O PRO A 23 43.808 −13.858 24.604 1.00 57.85 O ATOM 390 N PRO A 24 41.931 −15.125 24.840 1.00 56.03 N ATOM 391 CA PRO A 24 40.963 −14.220 24.217 1.00 52.69 C ATOM 393 CB PRO A 24 39.667 −15.023 24.276 1.00 52.70 C ATOM 396 CG PRO A 24 40.058 −16.369 24.440 1.00 55.89 C ATOM 399 CD PRO A 24 41.259 −16.335 25.325 1.00 57.99 C ATOM 402 C PRO A 24 40.697 −12.963 24.971 1.00 52.11 C ATOM 403 O PRO A 24 40.598 −13.028 26.170 1.00 56.31 O ATOM 404 N GLN A 25 40.558 −11.856 24.261 1.00 53.37 N ATOM 406 CA GLN A 25 40.215 −10.568 24.839 1.00 54.86 C ATOM 408 CB GLN A 25 41.290 −9.528 24.531 1.00 55.07 C ATOM 411 CG GLN A 25 42.627 −9.938 24.959 1.00 57.87 C ATOM 414 CD GLN A 25 43.630 −8.867 24.743 1.00 56.36 C ATOM 415 OE1 GLN A 25 43.283 −7.691 24.741 1.00 56.87 O ATOM 416 NE2 GLN A 25 44.888 −9.263 24.561 1.00 48.88 N ATOM 419 C GLN A 25 38.946 −10.098 24.168 1.00 54.86 C ATOM 420 O GLN A 25 38.936 −9.799 22.968 1.00 58.85 O ATOM 421 N THR A 26 37.883 −10.006 24.944 1.00 52.85 N ATOM 423 CA THR A 26 36.604 −9.597 24.436 1.00 50.69 C ATOM 425 CB THR A 26 35.614 −9.763 25.531 1.00 49.93 C ATOM 427 OG1 THR A 26 35.404 −11.164 25.799 1.00 53.75 O ATOM 429 CG2 THR A 26 34.308 −9.246 25.060 1.00 46.30 C ATOM 433 C THR A 26 36.575 −8.146 24.003 1.00 51.52 C ATOM 434 O THR A 26 37.078 −7.284 24.696 1.00 59.94 O ATOM 435 N LEU A 27 35.982 −7.856 22.858 1.00 49.68 N ATOM 437 CA LEU A 27 35.858 −6.476 22.412 1.00 39.53 C ATOM 439 CB LEU A 27 37.066 −6.094 21.592 1.00 42.69 C ATOM 442 CG LEU A 27 38.456 −5.850 22.241 1.00 44.73 C ATOM 444 CD1 LEU A 27 39.404 −5.301 21.192 1.00 42.23 C ATOM 448 CD2 LEU A 27 38.418 −4.865 23.382 1.00 44.45 C ATOM 452 C LEU A 27 34.615 −6.390 21.574 1.00 40.04 C ATOM 453 O LEU A 27 34.313 −7.319 20.821 1.00 40.69 O ATOM 454 N ASN A 28 33.859 −5.305 21.704 1.00 43.27 N ATOM 456 CA ASN A 28 32.654 −5.129 20.873 1.00 43.26 C ATOM 458 CB ASN A 28 31.509 −4.465 21.654 1.00 45.19 C ATOM 461 CG ASN A 28 30.830 −5.417 22.672 1.00 44.78 C ATOM 462 OD1 ASN A 28 30.936 −5.234 23.888 1.00 47.19 O ATOM 463 ND2 ASN A 28 30.123 −6.411 22.174 1.00 42.58 N ATOM 466 C ASN A 28 33.018 −4.308 19.633 1.00 45.28 C ATOM 467 O ASN A 28 33.476 −3.172 19.775 1.00 46.40 O ATOM 468 N ILE A 29 32.795 −4.911 18.450 1.00 46.88 N ATOM 470 CA ILE A 29 33.115 −4.400 17.094 1.00 44.20 C ATOM 472 CB ILE A 29 33.690 −5.561 16.303 1.00 43.47 C ATOM 474 CG1 ILE A 29 34.737 −6.291 17.121 1.00 43.10 C ATOM 477 CD1 ILE A 29 35.870 −5.421 17.574 1.00 44.94 C ATOM 481 CG2 ILE A 29 34.248 −5.079 14.973 1.00 46.96 C ATOM 485 C ILE A 29 31.942 −3.874 16.222 1.00 41.20 C ATOM 486 O ILE A 29 30.951 −4.502 16.068 1.00 36.51 O ATOM 487 N LEU A 30 32.084 −2.715 15.617 1.00 44.61 N ATOM 489 CA LEU A 30 31.023 −2.165 14.783 1.00 41.39 C ATOM 491 CB LEU A 30 31.284 −0.684 14.562 1.00 36.72 C ATOM 494 CG LEU A 30 30.022 0.080 14.326 1.00 38.55 C ATOM 496 OD1 LEU A 30 29.865 1.229 15.255 1.00 44.29 C ATOM 500 CD2 LEU A 30 30.137 0.569 12.982 1.00 43.51 C ATOM 504 C LEU A 30 30.885 −2.911 13.455 1.00 40.85 C ATOM 505 O LEU A 30 31.851 −3.397 12.897 1.00 45.44 O ATOM 506 N VAL A 31 29.662 −2.996 12.953 1.00 43.56 N ATOM 508 CA VAL A 31 29.362 −3.774 11.762 1.00 42.56 C ATOM 510 CB VAL A 31 28.116 −4.562 12.003 1.00 44.28 C ATOM 512 CG1 VAL A 31 27.424 −4.814 10.739 1.00 46.25 C ATOM 516 CG2 VAL A 31 28.472 −5.868 12.644 1.00 48.98 C ATOM 520 C VAL A 31 29.137 −2.803 10.621 1.00 42.04 C ATOM 521 O VAL A 31 28.088 −2.172 10.588 1.00 46.43 O ATOM 522 N ASP A 32 30.113 −2.699 9.704 1.00 38.37 N ATOM 524 CA ASP A 32 30.170 −1.655 8.699 1.00 36.43 C ATOM 526 CB ASP A 32 31.409 −0.852 8.922 1.00 41.59 C ATOM 529 CG ASP A 32 31.371 0.375 8.151 1.00 46.08 C ATOM 530 OD1 ASP A 32 30.241 0.877 8.185 1.00 58.39 O ATOM 531 OD2 ASP A 32 32.299 0.905 7.467 1.00 43.43 O ATOM 532 C ASP A 32 30.308 −2.118 7.291 1.00 36.03 C ATOM 533 O ASP A 32 31.379 −2.416 6.890 1.00 36.16 O ATOM 534 N THR A 33 29.238 −2.174 6.520 1.00 35.12 N ATOM 536 CA THR A 33 29.341 −2.680 5.164 1.00 36.24 C ATOM 538 CB THR A 33 27.969 −3.180 4.660 1.00 40.04 C ATOM 540 OG1 THR A 33 26.982 −2.136 4.794 1.00 44.25 O ATOM 542 CG2 THR A 33 27.453 −4.347 5.575 1.00 40.43 C ATOM 546 C THR A 33 29.829 −1.581 4.301 1.00 33.30 C ATOM 547 O THR A 33 29.893 −1.701 3.085 1.00 35.29 O ATOM 548 N GLY A 34 30.177 −0.493 4.946 1.00 31.75 N ATOM 550 CA GLY A 34 30.601 0.715 4.245 1.00 36.33 C ATOM 553 C GLY A 34 32.077 0.844 4.160 1.00 39.91 C ATOM 554 O GLY A 34 32.531 1.605 3.314 1.00 50.07 O ATOM 555 N SER A 35 32.814 0.107 5.004 1.00 37.10 N ATOM 557 CA SER A 35 34.228 0.032 4.901 1.00 34.40 C ATOM 559 CB SER A 35 34.823 0.796 6.021 1.00 36.88 C ATOM 562 OG SER A 35 34.960 −0.016 7.136 1.00 40.38 O ATOM 564 C SER A 35 34.785 −1.406 4.922 1.00 37.08 C ATOM 565 O SER A 35 34.045 −2.332 5.176 1.00 32.07 O ATOM 566 N SER A 36 36.104 −1.546 4.668 1.00 37.61 N ATOM 568 CA SER A 36 36.836 −2.824 4.521 1.00 38.67 C ATOM 570 CB SER A 36 37.384 −2.903 3.110 1.00 39.52 C ATOM 573 OG SER A 36 36.354 −2.718 2.156 1.00 47.74 O ATOM 575 C SER A 36 38.079 −3.054 5.406 1.00 41.95 C ATOM 576 O SER A 36 38.978 −3.850 5.074 1.00 42.44 O ATOM 577 N ASN A 37 38.162 −2.374 6.526 1.00 35.87 N ATOM 579 CA ASN A 37 39.299 −2.563 7.336 1.00 30.94 C ATOM 581 CB ASN A 37 39.969 −1.216 7.505 1.00 36.25 C ATOM 584 CG ASN A 37 41.020 −0.997 6.507 1.00 35.00 C ATOM 585 OD1 ASN A 37 40.726 −0.519 5.452 1.00 41.51 O ATOM 586 ND2 ASN A 37 42.275 −1.379 6.819 1.00 35.89 N ATOM 589 C ASN A 37 38.876 −3.085 8.679 1.00 30.50 C ATOM 590 O ASN A 37 37.991 −2.530 9.247 1.00 34.21 O ATOM 591 N PHE A 38 39.478 −4.157 9.184 1.00 36.14 N ATOM 593 CA PHE A 38 39.180 −4.625 10.545 1.00 36.42 C ATOM 595 CB PHE A 38 39.256 −6.146 10.663 1.00 33.72 C ATOM 598 CG PHE A 38 38.886 −6.678 12.040 1.00 43.00 C ATOM 599 CD1 PHE A 38 39.713 −7.566 12.705 1.00 42.48 C ATOM 601 CE1 PHE A 38 39.386 −8.040 13.962 1.00 47.58 C ATOM 603 CZ PHE A 38 38.233 −7.661 14.586 1.00 42.81 C ATOM 605 CE2 PHE A 38 37.394 −6.785 13.954 1.00 49.46 C ATOM 607 CD2 PHE A 38 37.717 −6.290 12.670 1.00 44.85 C ATOM 609 C PHE A 38 40.227 −3.888 11.416 1.00 40.18 C ATOM 610 O PHE A 38 41.406 −3.760 11.017 1.00 39.66 O ATOM 611 N ALA A 39 39.802 −3.389 12.576 1.00 40.32 N ATOM 613 CA ALA A 39 40.656 −2.515 13.403 1.00 40.28 C ATOM 615 CB ALA A 39 40.810 −1.164 12.739 1.00 40.18 C ATOM 619 C ALA A 39 40.020 −2.343 14.757 1.00 37.73 C ATOM 620 O ALA A 39 38.787 −2.412 14.885 1.00 40.37 O ATOM 621 N VAL A 40 40.839 −2.097 15.764 1.00 38.68 N ATOM 623 CA VAL A 40 40.334 −2.088 17.117 1.00 39.39 C ATOM 625 CB VAL A 40 40.369 −3.507 17.636 1.00 41.17 C ATOM 627 CG1 VAL A 40 39.731 −4.442 16.605 1.00 45.27 C ATOM 631 CG2 VAL A 40 41.722 −4.000 17.829 1.00 46.47 C ATOM 635 C VAL A 40 41.080 −1.078 18.005 1.00 48.51 C ATOM 636 O VAL A 40 42.175 −0.583 17.642 1.00 50.57 O ATOM 637 N GLY A 41 40.477 −0.729 19.152 1.00 47.86 N ATOM 639 CA GLY A 41 41.073 0.262 20.014 1.00 40.52 C ATOM 642 C GLY A 41 42.290 −0.406 20.595 1.00 44.67 C ATOM 643 O GLY A 41 42.140 −1.387 21.332 1.00 42.27 O ATOM 644 N ALA A 42 43.500 0.079 20.274 1.00 46.72 N ATOM 646 CA ALA A 42 44.724 −0.467 20.914 1.00 42.69 C ATOM 648 CB ALA A 42 45.655 −0.928 19.886 1.00 42.07 C ATOM 652 C ALA A 42 45.444 0.477 21.883 1.00 46.86 C ATOM 653 O ALA A 42 46.687 0.515 21.984 1.00 45.43 O ATOM 654 N ALA A 43 44.677 1.246 22.636 1.00 50.46 N ATOM 656 CA ALA A 43 45.278 2.216 23.548 1.00 52.82 C ATOM 658 CB ALA A 43 46.320 3.073 22.854 1.00 48.10 C ATOM 662 C ALA A 43 44.196 3.101 24.052 1.00 56.62 C ATOM 663 O ALA A 43 43.186 3.315 23.380 1.00 57.66 O ATOM 664 N PRO A 44 44.446 3.628 25.238 1.00 62.73 N ATOM 665 CA PRO A 44 43.510 4.492 25.962 1.00 59.53 C ATOM 667 CB PRO A 44 44.390 5.093 27.053 1.00 62.72 C ATOM 670 CG PRO A 44 45.835 4.754 26.603 1.00 66.12 C ATOM 673 CD PRO A 44 45.696 3.411 26.003 1.00 65.12 C ATOM 676 C PRO A 44 42.905 5.606 25.132 1.00 59.62 C ATOM 677 O PRO A 44 43.553 6.133 24.218 1.00 55.79 O ATOM 678 N HIS A 45 41.653 5.939 25.452 1.00 54.87 N ATOM 680 CA HIS A 45 40.970 7.043 24.813 1.00 54.75 C ATOM 682 CB HIS A 45 40.782 6.831 23.332 1.00 50.69 C ATOM 685 CG HIS A 45 39.905 7.860 22.704 1.00 47.13 C ATOM 686 ND1 HIS A 45 38.634 8.126 23.167 1.00 46.73 N ATOM 688 CE1 HIS A 45 38.094 9.082 22.429 1.00 49.26 C ATOM 690 NE2 HIS A 45 38.965 9.443 21.501 1.00 40.27 N ATOM 692 CD2 HIS A 45 40.108 8.692 21.654 1.00 46.25 C ATOM 694 C HIS A 45 39.645 7.185 25.525 1.00 61.01 C ATOM 695 O HIS A 45 38.869 6.236 25.629 1.00 68.54 O ATOM 696 N PRO A 46 39.368 8.398 25.976 1.00 66.55 N ATOM 697 CA PRO A 46 38.316 8.630 26.973 1.00 67.17 C ATOM 699 CB PRO A 46 37.953 10.103 26.772 1.00 67.46 C ATOM 702 CG PRO A 46 39.078 10.729 25.902 1.00 64.56 C ATOM 705 CD PRO A 46 39.993 9.648 25.496 1.00 65.48 C ATOM 708 C PRO A 46 37.104 7.770 26.736 1.00 65.38 C ATOM 709 O PRO A 46 36.433 7.311 27.650 1.00 68.92 O ATOM 710 N PHE A 47 36.823 7.530 25.479 1.00 62.71 N ATOM 712 CA PHE A 47 35.613 6.833 25.156 1.00 60.29 C ATOM 714 CB PHE A 47 35.137 7.330 23.806 1.00 58.61 C ATOM 717 CG PHE A 47 34.910 8.805 23.780 1.00 57.85 C ATOM 718 CD1 PHE A 47 34.809 9.490 22.583 1.00 54.09 C ATOM 720 CE1 PHE A 47 34.602 10.831 22.559 1.00 50.97 C ATOM 722 CZ PHE A 47 34.486 11.529 23.739 1.00 57.26 C ATOM 724 CE2 PHE A 47 34.583 10.865 24.944 1.00 60.84 C ATOM 726 CD2 PHE A 47 34.792 9.507 24.965 1.00 59.30 C ATOM 728 C PHE A 47 35.728 5.340 25.155 1.00 58.83 C ATOM 729 O PHE A 47 34.806 4.684 24.721 1.00 61.67 O ATOM 730 N LEU A 48 36.829 4.774 25.625 1.00 58.46 N ATOM 732 CA LEU A 48 36.896 3.322 25.635 1.00 61.24 C ATOM 734 CB LEU A 48 38.084 2.812 24.786 1.00 59.23 C ATOM 737 CG LEU A 48 38.037 3.121 23.271 1.00 60.91 C ATOM 739 CD1 LEU A 48 39.439 3.297 22.652 1.00 56.82 C ATOM 743 CD2 LEU A 48 37.235 2.074 22.456 1.00 61.09 C ATOM 747 C LEU A 48 36.928 2.709 27.037 1.00 62.47 C ATOM 748 O LEU A 48 37.767 3.065 27.846 1.00 61.13 O ATOM 749 N HIS A 49 35.984 1.803 27.305 1.00 65.56 N ATOM 751 CA HIS A 49 36.036 0.929 28.489 1.00 66.38 C ATOM 753 CB HIS A 49 34.791 0.037 28.642 1.00 73.64 C ATOM 756 CG HIS A 49 33.560 0.785 29.012 1.00 78.39 C ATOM 757 ND1 HIS A 49 33.631 2.037 29.570 1.00 87.79 N ATOM 759 CE1 HIS A 49 32.415 2.503 29.791 1.00 85.97 C ATOM 761 NE2 HIS A 49 31.550 1.587 29.399 1.00 84.81 N ATOM 763 CD2 HIS A 49 32.241 0.494 28.908 1.00 79.17 C ATOM 765 C HIS A 49 37.173 −0.070 28.366 1.00 60.95 C ATOM 766 O HIS A 49 37.563 −0.684 29.362 1.00 60.23 O ATOM 767 N ARG A 50 37.669 −0.304 27.149 1.00 58.11 N ATOM 769 CA ARG A 50 38.768 −1.253 26.923 1.00 55.40 C ATOM 771 CB ARG A 50 38.247 −2.671 26.985 1.00 55.21 C ATOM 774 CG ARG A 50 36.757 −2.807 26.821 1.00 54.36 C ATOM 777 CD ARG A 50 36.239 −4.211 27.167 1.00 48.77 C ATOM 780 NE ARG A 50 35.083 −4.540 26.350 1.00 52.02 N ATOM 782 CZ ARG A 50 34.594 −5.760 26.210 1.00 49.86 C ATOM 783 NH1 ARG A 50 35.170 −6.765 26.847 1.00 49.97 N ATOM 786 NH2 ARG A 50 33.529 −5.971 25.440 1.00 44.75 N ATOM 789 C ARG A 50 39.577 −1.078 25.631 1.00 56.08 C ATOM 790 O ARG A 50 39.388 −0.103 24.861 1.00 55.23 O ATOM 791 N TYR A 51 40.506 −2.013 25.413 1.00 56.91 N ATOM 793 CA TYR A 51 41.319 −2.010 24.195 1.00 57.53 C ATOM 795 CB TYR A 51 42.153 −0.735 24.085 1.00 58.76 C ATOM 798 CG TYR A 51 43.220 −0.483 25.148 1.00 65.10 C ATOM 799 CD1 TYR A 51 44.487 −1.041 25.057 1.00 70.53 C ATOM 801 CE1 TYR A 51 45.460 −0.792 26.036 1.00 68.47 C ATOM 803 CZ TYR A 51 45.171 0.023 27.101 1.00 64.05 C ATOM 804 OH TYR A 51 46.091 0.286 28.077 1.00 56.09 O ATOM 806 CE2 TYR A 51 43.947 0.573 27.198 1.00 65.65 C ATOM 808 CD2 TYR A 51 42.971 0.328 26.222 1.00 64.80 C ATOM 810 C TYR A 51 42.211 −3.222 24.026 1.00 56.08 C ATOM 811 O TYR A 51 42.650 −3.810 24.983 1.00 63.38 O ATOM 812 N TYR A 52 42.456 −3.600 22.783 1.00 56.18 N ATOM 814 CA TYR A 52 43.369 −4.698 22.440 1.00 54.65 C ATOM 816 CB TYR A 52 43.609 −4.634 20.954 1.00 52.23 C ATOM 819 CG TYR A 52 44.309 −5.802 20.342 1.00 49.44 C ATOM 820 CD1 TYR A 52 44.364 −7.038 20.958 1.00 49.18 C ATOM 822 CE1 TYR A 52 45.014 −8.084 20.352 1.00 44.95 C ATOM 824 CZ TYR A 52 45.598 −7.880 19.123 1.00 40.40 C ATOM 825 OH TYR A 52 46.257 −8.880 18.453 1.00 43.51 O ATOM 827 CE2 TYR A 52 45.543 −6.683 18.523 1.00 36.90 C ATOM 829 CD2 TYR A 52 44.906 −5.663 19.117 1.00 44.53 C ATOM 831 C TYR A 52 44.716 −4.512 23.090 1.00 56.76 C ATOM 832 O TYR A 52 45.267 −3.421 23.042 1.00 61.43 O ATOM 833 N GLN A 53 45.269 −5.562 23.694 1.00 58.49 N ATOM 835 CA GLN A 53 46.570 −5.444 24.371 1.00 50.39 C ATOM 837 CB GLN A 53 46.443 −5.654 25.885 1.00 52.39 C ATOM 840 CG GLN A 53 45.728 −4.466 26.574 1.00 57.22 C ATOM 843 CD GLN A 53 45.807 −4.475 28.089 1.00 59.21 C ATOM 844 OE1 GLN A 53 44.778 −4.523 28.763 1.00 68.21 O ATOM 845 NE2 GLN A 53 47.019 −4.413 28.627 1.00 60.90 N ATOM 848 C GLN A 53 47.498 −6.427 23.723 1.00 48.79 C ATOM 849 O GLN A 53 47.660 −7.571 24.144 1.00 48.67 O ATOM 850 N ARG A 54 48.115 −5.964 22.659 1.00 44.44 N ATOM 852 CA ARG A 54 48.994 −6.809 21.908 1.00 42.47 C ATOM 854 CB ARG A 54 49.669 −5.949 20.864 1.00 42.10 C ATOM 857 CG ARG A 54 48.733 −5.430 19.740 1.00 35.73 C ATOM 860 CD ARG A 54 49.465 −4.449 18.787 1.00 38.01 C ATOM 863 NE ARG A 54 49.506 −3.127 19.393 1.00 46.13 N ATOM 865 CZ ARG A 54 50.064 −2.072 18.861 1.00 54.49 C ATOM 866 NH1 ARG A 54 50.646 −2.176 17.682 1.00 63.14 N ATOM 869 NH2 ARG A 54 50.052 −0.903 19.504 1.00 58.58 N ATOM 872 C ARG A 54 50.023 −7.562 22.802 1.00 46.11 C ATOM 873 O ARG A 54 50.297 −8.750 22.623 1.00 50.14 O ATOM 874 N GLN A 55 50.583 −6.887 23.777 1.00 49.49 N ATOM 876 CA GLN A 55 51.570 −7.530 24.638 1.00 54.83 C ATOM 878 CB GLN A 55 52.120 −6.504 25.638 1.00 56.89 C ATOM 881 CG GLN A 55 51.331 −5.158 25.639 1.00 63.64 C ATOM 884 CD GLN A 55 50.389 −4.991 26.815 1.00 69.23 C ATOM 885 OE1 GLN A 55 49.575 −4.052 26.852 1.00 65.62 O ATOM 886 NE2 GLN A 55 50.502 −5.892 27.790 1.00 75.17 N ATOM 889 C GLN A 55 51.054 −8.780 25.379 1.00 56.17 C ATOM 890 O GLN A 55 51.849 −9.509 25.952 1.00 55.62 O ATOM 891 N LEU A 56 49.750 −9.047 25.388 1.00 55.53 N ATOM 893 CA LEU A 56 49.250 −10.216 26.133 1.00 56.08 C ATOM 895 CB LEU A 56 48.009 −9.835 26.904 1.00 57.00 C ATOM 898 CG LEU A 56 48.155 −8.608 27.785 1.00 61.56 C ATOM 900 CD1 LEU A 56 46.968 −8.502 28.711 1.00 62.62 C ATOM 904 CD2 LEU A 56 49.453 −8.699 28.580 1.00 63.10 C ATOM 908 C LEU A 56 48.874 −11.462 25.352 1.00 56.64 C ATOM 909 O LEU A 56 48.488 −12.472 25.953 1.00 56.22 O ATOM 910 N SER A 57 48.965 −11.396 24.029 1.00 55.33 N ATOM 912 CA SER A 57 48.533 −12.496 23.198 1.00 51.40 C ATOM 914 CB SER A 57 47.674 −12.011 22.060 1.00 50.76 C ATOM 917 OG SER A 57 47.423 −13.069 21.154 1.00 51.82 O ATOM 919 C SER A 57 49.768 −13.087 22.633 1.00 54.74 C ATOM 920 O SER A 57 50.673 −12.386 22.229 1.00 64.50 O ATOM 921 N SER A 58 49.827 −14.384 22.582 1.00 51.36 N ATOM 923 CA SER A 58 51.036 −14.980 22.152 1.00 52.68 C ATOM 925 CB SER A 58 51.243 −16.234 22.948 1.00 55.44 C ATOM 928 OG SER A 58 50.240 −17.142 22.588 1.00 51.95 O ATOM 930 C SER A 58 50.913 −15.342 20.717 1.00 51.45 C ATOM 931 O SER A 58 51.810 −15.932 20.154 1.00 58.22 O ATOM 932 N THR A 59 49.790 −15.005 20.122 1.00 49.52 N ATOM 934 CA THR A 59 49.551 −15.299 18.719 1.00 45.44 C ATOM 936 CB THR A 59 48.187 −15.986 18.586 1.00 43.26 C ATOM 938 OG1 THR A 59 47.220 −15.363 19.446 1.00 40.46 O ATOM 940 CG2 THR A 59 48.237 −17.366 19.192 1.00 43.84 C ATOM 944 C THR A 59 49.674 −13.990 17.894 1.00 48.17 C ATOM 945 O THR A 59 49.471 −13.981 16.676 1.00 49.26 O ATOM 946 N TYR A 60 50.023 −12.884 18.556 1.00 44.42 N ATOM 948 CA TYR A 60 50.180 −11.625 17.852 1.00 45.38 C ATOM 950 CB TYR A 60 50.484 −10.499 18.843 1.00 46.42 C ATOM 953 CG TYR A 60 50.852 −9.182 18.198 1.00 46.69 C ATOM 954 CD1 TYR A 60 49.945 −8.500 17.379 1.00 47.22 C ATOM 956 CE1 TYR A 60 50.291 −7.282 16.787 1.00 47.17 C ATOM 958 CZ TYR A 60 51.546 −6.741 17.003 1.00 44.65 C ATOM 959 OH TYR A 60 51.894 −5.538 16.408 1.00 49.47 O ATOM 961 CE2 TYR A 60 52.448 −7.393 17.813 1.00 41.96 C ATOM 963 CD2 TYR A 60 52.101 −8.604 18.408 1.00 45.55 C ATOM 965 C TYR A 60 51.325 −11.709 16.878 1.00 47.40 C ATOM 966 O TYR A 60 52.262 −12.460 17.080 1.00 51.21 O ATOM 967 N ARG A 61 51.249 −10.942 15.804 1.00 48.35 N ATOM 969 CA ARG A 61 52.388 −10.781 14.920 1.00 41.23 C ATOM 971 CB ARG A 61 52.392 −11.782 13.795 1.00 44.25 C ATOM 974 CG ARG A 61 52.548 −13.205 14.213 1.00 45.20 C ATOM 977 CD ARG A 61 52.775 −14.118 13.033 1.00 46.69 C ATOM 980 NE ARG A 61 53.343 −15.391 13.450 1.00 51.89 N ATOM 982 CZ ARG A 61 52.893 −16.545 13.066 1.00 51.83 C ATOM 983 NH1 ARG A 61 51.872 −16.575 12.248 1.00 59.34 N ATOM 986 NH2 ARG A 61 53.448 −17.668 13.485 1.00 50.67 N ATOM 989 C ARG A 61 52.287 −9.433 14.302 1.00 41.40 C ATOM 990 O ARG A 61 51.278 −9.127 13.687 1.00 38.10 O ATOM 991 N ASP A 62 53.374 −8.681 14.477 1.00 45.24 N ATOM 993 CA ASP A 62 53.654 −7.322 13.990 1.00 43.46 C ATOM 995 CB ASP A 62 54.947 −6.899 14.658 1.00 46.00 C ATOM 998 CG ASP A 62 55.158 −5.405 14.673 1.00 50.50 C ATOM 999 OD1 ASP A 62 54.562 −4.701 13.833 1.00 47.18 O ATOM 1000 OD2 ASP A 62 55.940 −4.872 15.520 1.00 56.56 O ATOM 1001 C ASP A 62 53.950 −7.230 12.530 1.00 38.57 C ATOM 1002 O ASP A 62 54.868 −7.840 12.078 1.00 34.49 O ATOM 1003 N LEU A 63 53.204 −6.429 11.784 1.00 42.04 N ATOM 1005 CA LEU A 63 53.464 −6.332 10.355 1.00 41.63 C ATOM 1007 CB LEU A 63 52.131 −6.216 9.586 1.00 39.89 C ATOM 1010 CG LEU A 63 51.262 −7.490 9.430 1.00 39.13 C ATOM 1012 CD1 LEU A 63 49.768 −7.233 9.242 1.00 38.98 C ATOM 1016 CD2 LEU A 63 51.755 −8.283 8.272 1.00 35.93 C ATOM 1020 C LEU A 63 54.414 −5.180 10.024 1.00 45.54 C ATOM 1021 O LEU A 63 54.659 −4.921 8.853 1.00 45.94 O ATOM 1022 N ARG A 64 54.933 −4.467 11.034 1.00 47.05 N ATOM 1024 CA ARG A 64 55.873 −3.385 10.779 1.00 45.84 C ATOM 1026 CB ARG A 64 57.261 −3.976 10.447 1.00 46.95 C ATOM 1029 CG ARG A 64 57.974 −4.717 11.615 1.00 48.68 C ATOM 1032 CD ARG A 64 58.685 −6.010 11.233 1.00 49.84 C ATOM 1035 NE ARG A 64 59.846 −5.810 10.371 1.00 52.18 N ATOM 1037 CZ ARG A 64 60.138 −6.547 9.301 1.00 58.00 C ATOM 1038 NH1 ARG A 64 59.360 −7.557 8.918 1.00 57.76 N ATOM 1041 NH2 ARG A 64 61.220 −6.268 8.594 1.00 59.82 N ATOM 1044 C ARG A 64 55.451 −2.492 9.608 1.00 51.03 C ATOM 1045 O ARG A 64 56.259 −2.219 8.721 1.00 53.48 O ATOM 1046 N LYS A 65 54.198 −2.035 9.584 1.00 53.47 N ATOM 1048 CA LYS A 65 53.686 −1.175 8.489 1.00 51.33 C ATOM 1050 CB LYS A 65 53.329 −2.050 7.229 1.00 48.60 C ATOM 1053 CG LYS A 65 52.131 −1.667 6.219 1.00 48.91 C ATOM 1056 CD LYS A 65 51.911 −2.702 4.881 1.00 50.16 C ATOM 1059 CE LYS A 65 50.792 −4.019 4.900 1.00 44.00 C ATOM 1062 NZ LYS A 65 51.193 −5.488 4.701 1.00 11.49 N ATOM 1066 C LYS A 65 52.519 −0.436 9.136 1.00 50.12 C ATOM 1067 O LYS A 65 51.705 −1.075 9.781 1.00 56.99 O ATOM 1068 N GLY A 66 52.450 0.890 9.005 1.00 47.93 N ATOM 1070 CA GLY A 66 51.359 1.678 9.588 1.00 45.56 C ATOM 1073 C GLY A 66 50.196 1.971 8.628 1.00 42.47 C ATOM 1074 O GLY A 66 50.277 1.787 7.418 1.00 40.89 O ATOM 1075 N VAL A 67 49.095 2.470 9.152 1.00 39.98 N ATOM 1077 CA VAL A 67 48.000 2.820 8.264 1.00 35.53 C ATOM 1079 CB VAL A 67 47.307 1.531 7.793 1.00 35.43 C ATOM 1081 CG1 VAL A 67 46.878 0.663 8.984 1.00 36.95 C ATOM 1085 CG2 VAL A 67 46.129 1.806 6.999 1.00 33.52 C ATOM 1089 C VAL A 67 47.021 3.841 8.882 1.00 40.42 C ATOM 1090 O VAL A 67 46.885 3.969 10.118 1.00 40.64 O ATOM 1091 N TYR A 68 46.352 4.546 7.971 1.00 45.72 N ATOM 1093 CA TYR A 68 45.436 5.668 8.208 1.00 46.34 C ATOM 1095 CB TYR A 68 46.052 6.874 7.536 1.00 51.19 C ATOM 1098 CG TYR A 68 45.306 8.202 7.533 1.00 61.31 C ATOM 1099 CD1 TYR A 68 44.911 8.826 8.726 1.00 62.21 C ATOM 1101 CE1 TYR A 68 44.266 10.043 8.702 1.00 61.39 C ATOM 1103 CZ TYR A 68 44.008 10.665 7.491 1.00 63.25 C ATOM 1104 OH TYR A 68 43.361 11.886 7.472 1.00 66.32 O ATOM 1106 CE2 TYR A 68 44.390 10.080 6.298 1.00 58.19 C ATOM 1108 CD2 TYR A 68 45.039 8.864 6.321 1.00 61.27 C ATOM 1110 C TYR A 68 44.152 5.440 7.505 1.00 41.55 C ATOM 1111 O TYR A 68 44.130 5.185 6.335 1.00 42.23 O ATOM 1112 N VAL A 69 43.045 5.557 8.195 1.00 45.73 N ATOM 1114 CA VAL A 69 41.791 5.348 7.519 1.00 43.18 C ATOM 1116 CB VAL A 69 41.256 3.958 7.920 1.00 46.99 C ATOM 1118 CG1 VAL A 69 39.856 3.712 7.399 1.00 46.87 C ATOM 1122 CG2 VAL A 69 42.216 2.897 7.399 1.00 39.84 C ATOM 1126 C VAL A 69 40.831 6.478 7.832 1.00 37.88 C ATOM 1127 O VAL A 69 40.436 6.622 8.962 1.00 45.27 O ATOM 1128 N PRO A 70 40.497 7.286 6.823 1.00 34.02 N ATOM 1129 CA PRO A 70 39.507 8.345 6.917 1.00 29.99 C ATOM 1131 CB PRO A 70 40.071 9.345 5.934 1.00 26.73 C ATOM 1134 CG PRO A 70 40.414 8.518 4.800 1.00 25.36 C ATOM 1137 CD PRO A 70 41.047 7.267 5.456 1.00 34.53 C ATOM 1140 C PRO A 70 38.118 7.941 6.383 1.00 35.42 C ATOM 1141 O PRO A 70 37.992 7.309 5.318 1.00 35.66 O ATOM 1142 N TYR A 71 37.067 8.315 7.102 1.00 43.55 N ATOM 1144 CA TYR A 71 35.699 8.076 6.626 1.00 47.40 C ATOM 1146 CB TYR A 71 34.943 7.305 7.684 1.00 48.07 C ATOM 1149 CG TYR A 71 35.651 6.025 8.159 1.00 49.56 C ATOM 1150 CD1 TYR A 71 35.181 4.750 7.818 1.00 49.21 C ATOM 1152 CE1 TYR A 71 35.822 3.609 8.258 1.00 46.98 C ATOM 1154 CZ TYR A 71 36.924 3.741 9.045 1.00 44.80 C ATOM 1155 OH TYR A 71 37.601 2.666 9.526 1.00 46.04 O ATOM 1157 CE2 TYR A 71 37.387 4.972 9.389 1.00 50.64 C ATOM 1159 CD2 TYR A 71 36.756 6.097 8.949 1.00 50.58 C ATOM 1161 C TYR A 71 34.974 9.409 6.253 1.00 51.01 C ATOM 1162 O TYR A 71 35.607 10.448 6.041 1.00 56.69 O ATOM 1163 N THR A 72 33.653 9.373 6.144 1.00 54.06 N ATOM 1165 CA THR A 72 32.842 10.586 5.982 1.00 48.48 C ATOM 1167 CB THR A 72 31.462 10.140 5.541 1.00 42.95 C ATOM 1169 OG1 THR A 72 31.614 9.334 4.387 1.00 44.35 O ATOM 1171 CG2 THR A 72 30.620 11.232 4.935 1.00 46.38 C ATOM 1175 C THR A 72 32.834 11.426 7.291 1.00 50.73 C ATOM 1176 O THR A 72 32.793 12.633 7.256 1.00 49.87 O ATOM 1177 N GLN A 73 32.873 10.790 8.446 1.00 57.02 N ATOM 1179 CA GLN A 73 33.020 11.507 9.717 1.00 61.36 C ATOM 1181 CB GLN A 73 31.704 11.705 10.489 1.00 61.87 C ATOM 1184 CG GLN A 73 30.932 13.008 10.237 1.00 69.07 C ATOM 1187 CD GLN A 73 31.616 14.250 10.830 1.00 73.52 C ATOM 1188 OE1 GLN A 73 31.469 14.561 12.028 1.00 73.43 O ATOM 1189 NE2 GLN A 73 32.369 14.960 9.987 1.00 74.63 N ATOM 1192 C GLN A 73 33.930 10.654 10.576 1.00 61.53 C ATOM 1193 O GLN A 73 33.592 9.520 10.910 1.00 63.25 O ATOM 1194 N GLY A 74 35.079 11.208 10.935 1.00 62.04 N ATOM 1196 CA GLY A 74 36.019 10.538 11.816 1.00 60.66 C ATOM 1199 C GLY A 74 37.207 9.927 11.093 1.00 54.01 C ATOM 1200 O GLY A 74 37.126 9.641 9.901 1.00 47.51 O ATOM 1201 N LYS A 75 38.310 9.754 11.822 1.00 51.55 N ATOM 1203 CA LYS A 75 39.445 8.982 11.330 1.00 48.56 C ATOM 1205 CB LYS A 75 40.395 9.783 10.472 1.00 49.33 C ATOM 1208 CG LYS A 75 40.953 11.042 11.076 1.00 50.33 C ATOM 1211 CD LYS A 75 41.467 11.932 9.917 1.00 49.25 C ATOM 1214 CE LYS A 75 41.609 13.425 10.286 1.00 50.50 C ATOM 1217 NZ LYS A 75 43.031 13.815 10.654 1.00 42.60 N ATOM 1221 C LYS A 75 40.203 8.425 12.455 1.00 45.88 C ATOM 1222 O LYS A 75 39.958 8.795 13.599 1.00 46.47 O ATOM 1223 N TRP A 76 41.105 7.501 12.110 1.00 46.31 N ATOM 1225 CA TRP A 76 42.052 6.881 13.058 1.00 47.24 C ATOM 1227 CB TRP A 76 41.502 5.620 13.777 1.00 41.96 C ATOM 1230 CG TRP A 76 40.864 4.653 12.875 1.00 40.56 C ATOM 1231 CD1 TRP A 76 39.552 4.578 12.592 1.00 42.47 C ATOM 1233 NE1 TRP A 76 39.304 3.557 11.706 1.00 44.26 N ATOM 1235 CE2 TRP A 76 40.488 2.949 11.407 1.00 40.38 C ATOM 1236 CD2 TRP A 76 41.494 3.615 12.132 1.00 39.72 C ATOM 1237 CE3 TRP A 76 42.814 3.176 11.996 1.00 43.23 C ATOM 1239 CZ3 TRP A 76 43.082 2.116 11.157 1.00 34.09 C ATOM 1241 CH2 TRP A 76 42.047 1.481 10.452 1.00 40.84 C ATOM 1243 CZ2 TRP A 76 40.749 1.887 10.567 1.00 37.49 C ATOM 1245 C TRP A 76 43.352 6.572 12.283 1.00 46.65 C ATOM 1246 O TRP A 76 43.376 6.593 11.058 1.00 44.54 O ATOM 1247 N GLU A 77 44.417 6.302 13.025 1.00 44.45 N ATOM 1249 CA GLU A 77 45.726 6.056 12.465 1.00 49.78 C ATOM 1251 CB GLU A 77 46.637 7.292 12.696 1.00 54.17 C ATOM 1254 CG GLU A 77 45.798 8.559 12.966 1.00 63.47 C ATOM 1257 CD GLU A 77 46.260 9.861 12.296 1.00 65.72 C ATOM 1258 OE1 GLU A 77 47.499 10.099 12.217 1.00 62.94 O ATOM 1259 OE2 GLU A 77 45.341 10.642 11.855 1.00 57.77 O ATOM 1260 C GLU A 77 46.145 4.851 13.268 1.00 48.59 C ATOM 1261 O GLU A 77 45.835 4.787 14.477 1.00 46.46 O ATOM 1262 N GLY A 78 46.814 3.881 12.643 1.00 44.59 N ATOM 1264 CA GLY A 78 47.148 2.670 13.387 1.00 43.33 C ATOM 1267 C GLY A 78 48.378 1.905 12.935 1.00 45.34 C ATOM 1268 O GLY A 78 49.054 2.322 11.945 1.00 46.85 O ATOM 1269 N GLU A 79 48.635 0.805 13.657 1.00 40.38 N ATOM 1271 CA GLU A 79 49.702 −0.144 13.391 1.00 45.02 C ATOM 1273 CB GLU A 79 50.631 −0.248 14.675 1.00 51.34 C ATOM 1276 CG GLU A 79 51.478 1.000 15.101 1.00 55.46 C ATOM 1279 CD GLU A 79 52.047 0.912 16.565 1.00 65.73 C ATOM 1280 OE1 GLU A 79 52.921 1.815 17.021 1.00 64.66 O ATOM 1281 OE2 GLU A 79 51.612 −0.082 17.271 1.00 54.33 O ATOM 1282 C GLU A 79 49.162 −1.565 12.952 1.00 44.43 C ATOM 1283 O GLU A 79 48.318 −2.183 13.626 1.00 39.67 O ATOM 1284 N LEU A 80 49.666 −2.080 11.829 1.00 45.33 N ATOM 1286 CA LEU A 80 49.240 −3.386 11.250 1.00 42.70 C ATOM 1288 CB LEU A 80 49.454 −3.355 9.743 1.00 39.42 C ATOM 1291 CG LEU A 80 48.461 −2.502 9.024 1.00 38.72 C ATOM 1293 CD1 LEU A 80 48.671 −2.614 7.556 1.00 41.48 C ATOM 1297 CD2 LEU A 80 47.097 −2.967 9.427 1.00 43.39 C ATOM 1301 C LEU A 80 49.908 −4.689 11.737 1.00 42.16 C ATOM 1302 O LEU A 80 51.133 −4.789 11.947 1.00 39.15 O ATOM 1303 N GLY A 81 49.084 −5.715 11.852 1.00 38.15 N ATOM 1305 CA GLY A 81 49.519 −6.972 12.414 1.00 40.41 C ATOM 1308 C GLY A 81 48.517 −8.073 12.156 1.00 41.89 C ATOM 1309 O GLY A 81 47.680 −7.948 11.282 1.00 40.94 O ATOM 1310 N THR A 82 48.631 −9.167 12.898 1.00 45.69 N ATOM 1312 CA THR A 82 47.663 −10.265 12.824 1.00 41.72 C ATOM 1314 CB THR A 82 48.071 −11.342 11.837 1.00 41.41 C ATOM 1316 OG1 THR A 82 49.268 −12.009 12.302 1.00 40.17 O ATOM 1318 CG2 THR A 82 48.423 −10.774 10.506 1.00 39.10 C ATOM 1322 C THR A 82 47.570 −10.947 14.176 1.00 42.06 C ATOM 1323 O THR A 82 48.416 −10.779 15.077 1.00 41.59 O ATOM 1324 N ASP A 83 46.532 −11.736 14.315 1.00 39.43 N ATOM 1326 CA ASP A 83 46.344 −12.449 15.538 1.00 41.41 C ATOM 1328 CB ASP A 83 46.090 −11.482 16.675 1.00 40.00 C ATOM 1331 CG ASP A 83 46.263 −12.135 18.011 1.00 44.18 C ATOM 1332 OD1 ASP A 83 46.475 −13.344 18.014 1.00 45.61 O ATOM 1333 OD2 ASP A 83 46.225 −11.551 19.111 1.00 52.07 O ATOM 1334 C ASP A 83 45.163 −13.314 15.246 1.00 44.90 C ATOM 1335 O ASP A 83 44.544 −13.136 14.216 1.00 51.63 O ATOM 1336 N LEU A 84 44.847 −14.260 16.110 1.00 45.58 N ATOM 1338 CA LEU A 84 43.699 −15.139 15.877 1.00 44.62 C ATOM 1340 CB LEU A 84 43.951 −16.446 16.629 1.00 41.76 C ATOM 1343 CG LEU A 84 45.078 −17.361 16.133 1.00 41.81 C ATOM 1345 CD1 LEU A 84 45.177 −18.491 17.103 1.00 46.46 C ATOM 1349 CD2 LEU A 84 44.847 −17.978 14.767 1.00 42.92 C ATOM 1353 C LEU A 84 42.374 −14.468 16.315 1.00 41.20 C ATOM 1354 O LEU A 84 42.388 −13.643 17.191 1.00 52.36 O ATOM 1355 N VAL A 85 41.234 −14.803 15.719 1.00 41.48 N ATOM 1357 CA VAL A 85 39.973 −14.143 16.080 1.00 37.87 C ATOM 1359 CB VAL A 85 39.743 −12.994 15.120 1.00 41.53 C ATOM 1361 CG1 VAL A 85 38.437 −12.345 15.380 1.00 47.66 C ATOM 1365 CG2 VAL A 85 40.822 −11.985 15.229 1.00 41.79 C ATOM 1369 C VAL A 85 38.680 −14.998 16.052 1.00 39.48 C ATOM 1370 O VAL A 85 38.448 −15.737 15.125 1.00 44.43 O ATOM 1371 N SER A 86 37.833 −14.882 17.068 1.00 40.31 N ATOM 1373 CA SER A 86 36.564 −15.608 17.085 1.00 44.63 C ATOM 1375 CB SER A 86 36.474 −16.510 18.316 1.00 41.82 C ATOM 1378 OG SER A 86 37.738 −17.097 18.545 1.00 55.30 O ATOM 1380 C SER A 86 35.365 −14.678 17.157 1.00 45.48 C ATOM 1381 O SER A 86 35.525 −13.486 17.463 1.00 41.16 O ATOM 1382 N ILE A 87 34.185 −15.266 16.888 1.00 43.04 N ATOM 1384 CA ILE A 87 32.885 −14.643 17.083 1.00 41.10 C ATOM 1386 CB ILE A 87 32.215 −14.421 15.706 1.00 42.65 C ATOM 1388 CG1 ILE A 87 33.234 −13.839 14.754 1.00 43.78 C ATOM 1391 CD1 ILE A 87 32.624 −13.331 13.496 1.00 47.44 C ATOM 1395 CG2 ILE A 87 31.050 −13.435 15.795 1.00 39.53 C ATOM 1399 C ILE A 87 32.022 −15.517 18.062 1.00 43.32 C ATOM 1400 O ILE A 87 31.287 −16.462 17.663 1.00 44.61 O ATOM 1401 N PRO A 88 32.120 −15.212 19.346 1.00 41.82 N ATOM 1402 CA PRO A 88 31.440 −16.004 20.380 1.00 45.42 C ATOM 1404 CB PRO A 88 31.311 −15.040 21.563 1.00 46.34 C ATOM 1407 CG PRO A 88 32.594 −14.147 21.446 1.00 46.41 C ATOM 1410 CD PRO A 88 32.902 −14.107 19.925 1.00 46.82 C ATOM 1413 C PRO A 88 30.103 −16.508 19.949 1.00 44.85 C ATOM 1414 O PRO A 88 29.867 −17.685 20.208 1.00 53.97 O ATOM 1415 N HIS A 89 29.243 −15.692 19.354 1.00 46.76 N ATOM 1417 CA HIS A 89 27.981 −16.214 18.801 1.00 50.05 C ATOM 1419 CB HIS A 89 26.757 −15.526 19.316 1.00 48.45 C ATOM 1422 CG HIS A 89 26.753 −15.317 20.780 1.00 55.56 C ATOM 1423 ND1 HIS A 89 26.375 −16.302 21.664 1.00 60.41 N ATOM 1425 CE1 HIS A 89 26.460 −15.830 22.899 1.00 64.25 C ATOM 1427 NE2 HIS A 89 26.878 −14.576 22.842 1.00 59.22 N ATOM 1429 CD2 HIS A 89 27.065 −14.229 21.524 1.00 56.69 C ATOM 1431 C HIS A 89 27.958 −15.966 17.339 1.00 54.03 C ATOM 1432 O HIS A 89 27.124 −15.179 16.853 1.00 55.54 O ATOM 1433 N GLY A 90 28.896 −16.606 16.653 1.00 55.69 N ATOM 1435 CA GLY A 90 28.986 −16.585 15.201 1.00 55.66 C ATOM 1438 C GLY A 90 29.407 −18.001 14.865 1.00 52.28 C ATOM 1439 O GLY A 90 29.482 −18.847 15.746 1.00 62.08 O ATOM 1440 N PRO A 91 29.704 −18.297 13.628 1.00 47.23 N ATOM 1441 CA PRO A 91 30.069 −19.664 13.308 1.00 47.93 C ATOM 1443 CB PRO A 91 30.399 −19.586 11.830 1.00 49.04 C ATOM 1446 CG PRO A 91 30.611 −18.114 11.561 1.00 45.67 C ATOM 1449 CD PRO A 91 29.727 −17.419 12.456 1.00 48.30 C ATOM 1452 C PRO A 91 31.248 −19.980 14.206 1.00 54.34 C ATOM 1453 O PRO A 91 32.052 −19.090 14.448 1.00 56.82 O ATOM 1454 N GLN A 92 31.343 −21.211 14.691 1.00 54.83 N ATOM 1456 CA GLN A 92 32.261 −21.569 15.765 1.00 55.86 C ATOM 1458 CB GLN A 92 31.662 −22.754 16.503 1.00 60.18 C ATOM 1461 CG GLN A 92 30.322 −22.429 17.101 1.00 58.46 C ATOM 1464 CD GLN A 92 30.470 −21.890 18.493 1.00 64.81 C ATOM 1465 OE1 GLN A 92 30.847 −22.631 19.418 1.00 63.91 O ATOM 1466 NE2 GLN A 92 30.178 −20.591 18.662 1.00 67.59 N ATOM 1469 C GLN A 92 33.635 −21.950 15.325 1.00 56.89 C ATOM 1470 O GLN A 92 34.036 −23.111 15.411 1.00 62.48 O ATOM 1471 N VAL A 93 34.387 −20.961 14.897 1.00 55.14 N ATOM 1473 CA VAL A 93 35.629 −21.223 14.237 1.00 50.07 C ATOM 1475 CB VAL A 93 35.426 −21.112 12.760 1.00 51.39 C ATOM 1477 CG1 VAL A 93 34.450 −22.169 12.285 1.00 53.66 C ATOM 1481 CG2 VAL A 93 34.902 −19.715 12.424 1.00 53.54 C ATOM 1485 C VAL A 93 36.605 −20.174 14.620 1.00 54.79 C ATOM 1486 O VAL A 93 36.303 −19.243 15.382 1.00 56.10 O ATOM 1487 N THR A 94 37.805 −20.303 14.089 1.00 53.29 N ATOM 1489 CA THR A 94 38.802 −19.378 14.467 1.00 52.14 C ATOM 1491 CB THR A 94 39.464 −19.960 15.690 1.00 53.16 C ATOM 1493 OG1 TUR A 94 38.506 −19.888 16.761 1.00 53.79 O ATOM 1495 CG2 THR A 94 40.645 −19.093 16.197 1.00 56.24 C ATOM 1499 C THR A 94 39.688 −19.131 13.285 1.00 52.21 C ATOM 1500 O THR A 94 40.148 −20.051 12.624 1.00 61.76 O ATOM 1501 N VAL A 95 39.923 −17.867 12.993 1.00 51.10 N ATOM 1503 CA VAL A 95 40.645 −17.543 11.772 1.00 48.01 C ATOM 1505 CB VAL A 95 39.722 −16.862 10.706 1.00 43.19 C ATOM 1507 CG1 VAL A 95 38.322 −17.270 10.858 1.00 37.56 C ATOM 1511 CG2 VAL A 95 39.760 −15.377 10.824 1.00 47.32 C ATOM 1515 C VAL A 95 41.736 −16.577 12.111 1.00 45.91 C ATOM 1516 O VAL A 95 41.608 −15.811 13.065 1.00 50.89 O ATOM 1517 N ARG A 96 42.814 −16.615 11.353 1.00 41.67 N ATOM 1519 CA ARG A 96 43.788 −15.565 11.502 1.00 43.07 C ATOM 1521 CB ARG A 96 45.180 −16.043 11.235 1.00 41.47 C ATOM 1524 CG ARG A 96 46.175 −14.982 11.546 1.00 41.13 C ATOM 1527 CD ARG A 96 47.579 −15.400 11.409 1.00 43.93 C ATOM 1530 NE ARG A 96 48.156 −15.492 12.744 1.00 52.62 N ATOM 1532 CZ ARG A 96 48.450 −16.621 13.334 1.00 56.20 C ATOM 1533 NH1 ARG A 96 48.233 −17.778 12.696 1.00 59.54 N ATOM 1536 NH2 ARG A 96 48.965 −16.594 14.565 1.00 58.71 N ATOM 1539 C ARG A 96 43.441 −14.460 10.512 1.00 40.12 C ATOM 1540 O ARG A 96 43.081 −14.756 9.368 1.00 46.93 O ATOM 1541 N ALA A 97 43.539 −13.208 10.963 1.00 37.94 N ATOM 1543 CA ALA A 97 43.294 −12.033 10.119 1.00 40.48 C ATOM 1545 CB ALA A 97 41.818 −11.575 10.255 1.00 40.89 C ATOM 1549 C ALA A 97 44.193 −10.823 10.362 1.00 38.63 C ATOM 1550 O ALA A 97 44.823 −10.673 11.393 1.00 40.23 O ATOM 1551 N ASN A 98 44.208 −9.957 9.358 1.00 41.67 N ATOM 1553 CA ASN A 98 44.823 −8.658 9.427 1.00 39.41 C ATOM 1555 CB ASN A 98 44.680 −7.992 8.094 1.00 42.95 C ATOM 1558 CG ASN A 98 45.476 −8.649 7.070 1.00 37.46 C ATOM 1559 OD1 ASN A 98 46.593 −8.980 7.320 1.00 37.53 O ATOM 1560 ND2 ASN A 98 44.915 −8.841 5.896 1.00 52.61 N ATOM 1563 C ASN A 98 44.083 −7.799 10.369 1.00 40.10 C ATOM 1564 O ASN A 98 42.863 −7.864 10.434 1.00 41.02 O ATOM 1565 N ILE A 99 44.808 −6.962 11.089 1.00 44.12 N ATOM 1567 CA ILE A 99 44.198 −6.153 12.128 1.00 44.32 C ATOM 1569 CB ILE A 99 44.298 −6.840 13.502 1.00 41.75 C ATOM 1571 CG1 ILE A 99 43.507 −8.127 13.511 1.00 43.97 C ATOM 1574 CD1 ILE A 99 43.588 −8.918 14.872 1.00 48.22 C ATOM 1578 CG2 ILE A 99 43.722 −5.928 14.602 1.00 45.32 C ATOM 1582 C ILE A 99 44.932 −4.844 12.154 1.00 44.51 C ATOM 1583 O ILE A 99 46.082 −4.777 11.783 1.00 47.40 O ATOM 1584 N ALA A 100 44.252 −3.795 12.579 1.00 45.36 N ATOM 1586 CA ALA A 100 44.880 −2.510 12.655 1.00 41.65 C ATOM 1588 CB ALA A 100 44.230 −1.553 11.762 1.00 41.33 C ATOM 1592 C ALA A 100 44.732 −2.068 14.054 1.00 42.41 C ATOM 1593 O ALA A 100 43.612 −1.861 14.531 1.00 41.57 O ATOM 1594 N ALA A 101 45.865 −1.951 14.736 1.00 40.77 N ATOM 1596 CA ALA A 101 45.801 −1.461 16.066 1.00 37.99 C ATOM 1598 CB ALA A 101 46.907 −1.896 16.841 1.00 44.45 C ATOM 1602 C ALA A 101 45.819 0.007 15.881 1.00 41.73 C ATOM 1603 O ALA A 101 46.801 0.611 15.432 1.00 40.15 O ATOM 1604 N ILE A 102 44.656 0.544 16.204 1.00 42.71 N ATOM 1606 CA ILE A 102 44.379 1.911 16.241 1.00 39.72 C ATOM 1608 CB ILE A 102 43.010 2.009 16.549 1.00 44.46 C ATOM 1610 CG1 ILE A 102 42.182 1.767 15.321 1.00 43.48 C ATOM 1613 CD1 ILE A 102 40.768 1.961 15.644 1.00 40.40 C ATOM 1617 CG2 ILE A 102 42.732 3.406 17.111 1.00 48.29 C ATOM 1621 C ILE A 102 45.024 2.449 17.452 1.00 44.91 C ATOM 1622 O ILE A 102 44.777 1.856 18.522 1.00 42.30 O ATOM 1623 N THR A 103 45.795 3.544 17.257 1.00 45.74 N ATOM 1625 CA THR A 103 46.583 4.269 18.265 1.00 48.02 C ATOM 1627 CB THR A 103 48.113 4.118 17.971 1.00 48.61 C ATOM 1629 OG1 THR A 103 48.365 4.329 16.578 1.00 53.38 O ATOM 1631 CG2 THR A 103 48.601 2.733 18.209 1.00 42.44 C ATOM 1635 C THR A 103 46.295 5.790 18.383 1.00 48.94 C ATOM 1636 O THR A 103 46.547 6.358 19.407 1.00 51.09 O ATOM 1637 N GLU A 104 45.804 6.456 17.343 1.00 54.39 N ATOM 1639 CA GLU A 104 45.357 7.855 17.474 1.00 56.21 C ATOM 1641 CB GLU A 104 46.402 8.823 16.940 1.00 61.91 C ATOM 1644 CG GLU A 104 47.736 8.206 16.593 1.00 66.58 C ATOM 1647 CD GLU A 104 48.599 9.142 15.758 1.00 71.04 C ATOM 1648 OE1 GLU A 104 48.030 9.782 14.832 1.00 69.31 O ATOM 1649 OE2 GLU A 104 49.833 9.228 16.037 1.00 69.74 O ATOM 1650 C GLU A 104 44.062 8.088 16.684 1.00 53.27 C ATOM 1651 O GLU A 104 43.890 7.496 15.610 1.00 44.69 O ATOM 1652 N SER A 105 43.182 8.968 17.179 1.00 52.49 N ATOM 1654 CA SER A 105 41.858 9.143 16.562 1.00 54.80 C ATOM 1656 CB SER A 105 40.954 8.049 17.093 1.00 53.62 C ATOM 1659 OG SER A 105 41.288 7.850 18.448 1.00 51.12 O ATOM 1661 C SER A 105 41.136 10.454 16.809 1.00 56.75 C ATOM 1662 O SER A 105 41.285 11.077 17.858 1.00 57.71 O ATOM 1663 N ASP A 106 40.301 10.829 15.841 1.00 57.97 N ATOM 1665 CA ASP A 106 39.596 12.109 15.846 1.00 57.67 C ATOM 1667 CB ASP A 106 40.343 13.113 14.941 1.00 60.33 C ATOM 1670 CG ASP A 106 39.862 14.562 15.098 1.00 66.40 C ATOM 1671 OD1 ASP A 106 39.308 14.924 16.157 1.00 70.77 O ATOM 1672 OD2 ASP A 106 40.007 15.422 14.192 1.00 70.32 O ATOM 1673 C ASP A 106 38.136 11.950 15.391 1.00 54.92 C ATOM 1674 O ASP A 106 37.824 11.896 14.204 1.00 46.42 O ATOM 1675 N LYS A 107 37.248 11.869 16.371 1.00 57.47 N ATOM 1677 CA LYS A 107 35.810 11.879 16.136 1.00 55.68 C ATOM 1679 CB LYS A 107 35.365 13.092 15.277 1.00 55.19 C ATOM 1682 CG LYS A 107 35.774 14.500 15.817 1.00 54.89 C ATOM 1685 CD LYS A 107 35.904 15.570 14.683 1.00 57.62 C ATOM 1688 CE LYS A 107 36.209 16.997 15.235 1.00 62.59 C ATOM 1691 NZ LYS A 107 35.127 18.067 15.030 1.00 61.25 N ATOM 1695 C LYS A 107 35.489 10.578 15.466 1.00 54.50 C ATOM 1696 O LYS A 107 34.661 10.520 14.550 1.00 60.65 O ATOM 1697 N PHE A 108 36.158 9.526 15.917 1.00 48.69 N ATOM 1699 CA PHE A 108 35.848 8.201 15.414 1.00 47.47 C ATOM 1701 CB PHE A 108 37.114 7.485 14.985 1.00 46.41 C ATOM 1704 CG PHE A 108 36.892 6.087 14.554 1.00 44.05 C ATOM 1705 CD1 PHE A 108 36.267 5.810 13.372 1.00 33.79 C ATOM 1707 CE1 PHE A 108 36.073 4.549 12.988 1.00 37.34 C ATOM 1709 CZ PHE A 108 36.479 3.522 13.778 1.00 41.83 C ATOM 1711 CE2 PHE A 108 37.111 3.773 14.959 1.00 45.59 C ATOM 1713 CD2 PHE A 108 37.321 5.043 15.341 1.00 45.93 C ATOM 1715 C PHE A 108 35.068 7.468 16.508 1.00 49.52 C ATOM 1716 O PHE A 108 33.900 7.133 16.347 1.00 55.52 O ATOM 1717 N PHE A 109 35.684 7.241 17.643 1.00 49.90 N ATOM 1719 CA PHE A 109 34.961 6.631 18.732 1.00 51.23 C ATOM 1721 CB PHE A 109 35.880 6.391 19.906 1.00 53.93 C ATOM 1724 CG PHE A 109 36.954 5.422 19.634 1.00 57.15 C ATOM 1725 CD1 PHE A 109 38.276 5.816 19.684 1.00 59.98 C ATOM 1727 CE1 PHE A 109 39.280 4.917 19.436 1.00 63.80 C ATOM 1729 CZ PHE A 109 38.970 3.604 19.137 1.00 66.86 C ATOM 1731 CE2 PHE A 109 37.643 3.200 19.088 1.00 66.40 C ATOM 1733 CD2 PHE A 109 36.647 4.114 19.336 1.00 61.41 C ATOM 1735 C PHE A 109 33.892 7.583 19.198 1.00 52.57 C ATOM 1736 O PHE A 109 34.087 8.778 19.130 1.00 50.58 O ATOM 1737 N ILE A 110 32.780 7.025 19.703 1.00 57.48 N ATOM 1739 CA ILE A 110 31.592 7.769 20.162 1.00 51.27 C ATOM 1741 CB ILE A 110 30.420 7.363 19.310 1.00 49.34 C ATOM 1743 CG1 ILE A 110 30.506 8.107 17.992 1.00 54.03 C ATOM 1746 CD1 ILE A 110 29.249 8.085 17.198 1.00 53.87 C ATOM 1750 CG2 ILE A 110 29.129 7.681 19.985 1.00 54.77 C ATOM 1754 C ILE A 110 31.281 7.492 21.627 1.00 49.04 C ATOM 1755 O ILE A 110 31.108 6.355 22.046 1.00 47.53 O ATOM 1756 N GLN A 111 31.195 8.544 22.415 1.00 53.16 N ATOM 1758 CA GLN A 111 31.043 8.356 23.843 1.00 56.60 C ATOM 1760 CB GLN A 111 30.953 9.694 24.548 1.00 58.84 C ATOM 1763 CG GLN A 111 30.746 9.520 26.046 1.00 62.67 C ATOM 1766 CD GLN A 111 31.078 10.773 26.833 1.00 66.32 C ATOM 1767 OE1 GLN A 111 30.451 11.816 26.635 1.00 68.85 O ATOM 1768 NE2 GLN A 111 32.068 10.677 27.724 1.00 70.23 N ATOM 1771 C GLN A 111 29.816 7.552 24.202 1.00 57.17 C ATOM 1772 O GLN A 111 28.701 7.829 23.730 1.00 64.12 O ATOM 1773 N GLY A 112 30.012 6.560 25.043 1.00 54.22 N ATOM 1775 CA GLY A 112 28.893 5.803 25.547 1.00 56.70 C ATOM 1778 C GLY A 112 28.279 4.937 24.486 1.00 58.44 C ATOM 1779 O GLY A 112 27.109 4.561 24.538 1.00 61.06 O ATOM 1780 N SER A 113 29.083 4.599 23.501 1.00 61.23 N ATOM 1782 CA SER A 113 28.603 3.762 22.424 1.00 58.94 C ATOM 1784 CB SER A 113 29.408 4.080 21.174 1.00 60.39 C ATOM 1787 OG SER A 113 30.773 4.180 21.514 1.00 59.53 O ATOM 1789 C SER A 113 28.687 2.272 22.768 1.00 54.01 C ATOM 1790 O SER A 113 27.891 1.528 22.279 1.00 53.79 O ATOM 1791 N ASN A 114 29.642 1.879 23.613 1.00 48.58 N ATOM 1793 CA ASN A 114 29.882 0.505 24.026 1.00 47.72 C ATOM 1795 CB ASN A 114 28.660 −0.222 24.481 1.00 52.15 C ATOM 1798 CG ASN A 114 29.015 −1.423 25.395 1.00 61.51 C ATOM 1799 OD1 ASN A 114 29.436 −1.259 26.544 1.00 64.39 O ATOM 1800 ND2 ASN A 114 28.867 −2.632 24.867 1.00 65.83 N ATOM 1803 C ASN A 114 30.664 −0.364 23.028 1.00 50.29 C ATOM 1804 O ASN A 114 30.981 −1.544 23.314 1.00 51.67 O ATOM 1805 N TRP A 115 31.014 0.204 21.871 1.00 48.89 N ATOM 1807 CA TRP A 115 31.822 −0.536 20.929 1.00 46.17 C ATOM 1809 CB TRP A 115 31.244 −0.530 19.518 1.00 42.77 C ATOM 1812 CG TRP A 115 30.907 0.748 18.828 1.00 39.20 C ATOM 1813 CD1 TRP A 115 29.722 1.338 18.787 1.00 35.62 C ATOM 1815 NE1 TRP A 115 29.782 2.481 18.028 1.00 36.54 N ATOM 1817 CE2 TRP A 115 31.055 2.631 17.575 1.00 33.32 C ATOM 1818 CD2 TRP A 115 31.783 1.553 18.053 1.00 36.65 C ATOM 1819 CE3 TRP A 115 33.132 1.462 17.723 1.00 37.81 C ATOM 1821 CZ3 TRP A 115 33.681 2.419 16.946 1.00 32.70 C ATOM 1823 CH2 TRP A 115 32.924 3.479 16.485 1.00 43.43 C ATOM 1825 CZ2 TRP A 115 31.607 3.604 16.791 1.00 40.37 C ATOM 1827 C TRP A 115 33.277 −0.054 21.024 1.00 51.28 C ATOM 1828 O TRP A 115 33.541 0.928 21.733 1.00 54.94 O ATOM 1829 N GLU A 116 34.204 −0.729 20.356 1.00 48.07 N ATOM 1831 CA GLU A 116 35.607 −0.389 20.499 1.00 52.18 C ATOM 1833 CB GLU A 116 36.192 −1.236 21.600 1.00 54.65 C ATOM 1836 CG GLU A 116 35.916 −0.715 22.996 1.00 57.18 C ATOM 1839 CD GLU A 116 34.979 −1.591 23.806 1.00 59.55 C ATOM 1840 OE1 GLU A 116 34.289 −1.014 24.701 1.00 63.96 O ATOM 1841 OE2 GLU A 116 34.941 −2.830 23.558 1.00 53.25 O ATOM 1842 C GLU A 116 36.444 −0.607 19.218 1.00 52.81 C ATOM 1843 O GLU A 116 37.686 −0.501 19.227 1.00 46.45 O ATOM 1844 N GLY A 117 35.754 −0.885 18.119 1.00 48.92 N ATOM 1846 CA GLY A 117 36.435 −1.222 16.902 1.00 47.29 C ATOM 1849 C GLY A 117 35.469 −1.364 15.750 1.00 47.08 C ATOM 1850 O GLY A 117 34.257 −1.112 15.798 1.00 38.00 O ATOM 1851 N ILE A 118 35.999 −1.781 14.641 1.00 43.80 N ATOM 1853 CA ILE A 118 35.113 −1.752 13.533 1.00 39.64 C ATOM 1855 CB ILE A 118 35.323 −0.489 12.871 1.00 33.14 C ATOM 1857 CG1 ILE A 118 34.441 −0.351 11.673 1.00 38.51 C ATOM 1860 CD1 ILE A 118 34.304 1.118 11.253 1.00 38.06 C ATOM 1864 CG2 ILE A 118 36.669 −0.442 12.386 1.00 41.01 C ATOM 1868 C ILE A 118 35.465 −2.905 12.666 1.00 39.08 C ATOM 1869 O ILE A 118 36.608 −3.210 12.482 1.00 41.16 O ATOM 1870 N LEU A 119 34.445 −3.566 12.175 1.00 39.01 N ATOM 1872 CA LEU A 119 34.628 −4.621 11.269 1.00 38.51 C ATOM 1874 CB LEU A 119 33.759 −5.772 11.693 1.00 39.97 C ATOM 1877 CG LEU A 119 33.969 −6.973 10.812 1.00 40.38 C ATOM 1879 CD1 LEU A 119 35.433 −7.445 10.870 1.00 37.17 C ATOM 1883 CD2 LEU A 119 33.036 −8.028 11.273 1.00 42.73 C ATOM 1887 C LEU A 119 34.151 −4.097 9.953 1.00 38.40 C ATOM 1888 O LEU A 119 32.965 −3.923 9.771 1.00 43.72 O ATOM 1889 N GLY A 120 35.059 −3.794 9.039 1.00 40.26 N ATOM 1891 CA GLY A 120 34.655 −3.388 7.696 1.00 37.27 C ATOM 1894 C GLY A 120 34.278 −4.619 6.920 1.00 35.23 C ATOM 1895 O GLY A 120 35.044 −5.538 6.888 1.00 41.95 O ATOM 1896 N LEU A 121 33.116 −4.697 6.293 1.00 40.05 N ATOM 1898 CA LEU A 121 32.866 −5.891 5.473 1.00 34.58 C ATOM 1900 CB LEU A 121 31.626 −6.622 5.917 1.00 35.45 C ATOM 1903 CG LEU A 121 31.436 −6.831 7.393 1.00 31.35 C ATOM 1905 CD1 LEU A 121 29.950 −6.863 7.687 1.00 28.15 C ATOM 1909 CD2 LEU A 121 32.124 −8.105 7.719 1.00 28.77 C ATOM 1913 C LEU A 121 32.704 −5.635 3.984 1.00 37.29 C ATOM 1914 O LEU A 121 32.158 −6.483 3.267 1.00 42.02 O ATOM 1915 N ALA A 122 33.145 −4.505 3.469 1.00 36.05 N ATOM 1917 CA ALA A 122 33.084 −4.404 2.029 1.00 39.37 C ATOM 1919 CB ALA A 122 32.974 −3.039 1.593 1.00 40.38 C ATOM 1923 C ALA A 122 34.289 −5.090 1.398 1.00 41.97 C ATOM 1924 O ALA A 122 35.020 −5.841 2.046 1.00 40.99 O ATOM 1925 N TYR A 123 34.486 −4.796 0.124 1.00 43.02 N ATOM 1927 CA TYR A 123 35.423 −5.522 −0.690 1.00 40.35 C ATOM 1929 CB TYR A 123 34.904 −5.453 −2.091 1.00 38.74 C ATOM 1932 CG TYR A 123 33.687 −6.306 −2.361 1.00 41.64 C ATOM 1933 CD1 TYR A 123 32.453 −5.755 −2.557 1.00 39.22 C ATOM 1935 CE1 TYR A 123 31.352 −6.564 −2.824 1.00 34.66 C ATOM 1937 CZ TYR A 123 31.487 −7.899 −2.896 1.00 36.31 C ATOM 1938 OH TYR A 123 30.392 −8.724 −3.167 1.00 43.22 O ATOM 1940 CE2 TYR A 123 32.711 −8.459 −2.706 1.00 43.43 C ATOM 1942 CD2 TYR A 123 33.788 −7.686 −2.443 1.00 43.16 C ATOM 1944 C TYR A 123 36.758 −4.856 −0.586 1.00 43.96 C ATOM 1945 O TYR A 123 36.831 −3.746 −0.094 1.00 43.08 O ATOM 1946 N ALA A 124 37.810 −5.509 −1.063 1.00 46.53 N ATOM 1948 CA ALA A 124 39.194 −5.021 −0.894 1.00 45.27 C ATOM 1950 CB ALA A 124 40.163 −6.124 −1.311 1.00 45.24 C ATOM 1954 C ALA A 124 39.597 −3.728 −1.616 1.00 47.88 C ATOM 1955 O ALA A 124 40.511 −2.999 −1.159 1.00 47.35 O ATOM 1956 N GLU A 125 38.950 −3.438 −2.735 1.00 46.72 N ATOM 1958 CA GLU A 125 39.399 −2.342 −3.574 1.00 46.92 C ATOM 1960 CB GLU A 125 38.461 −2.169 −4.774 1.00 49.10 C ATOM 1963 CG GLU A 125 38.608 −0.831 −5.492 1.00 55.04 C ATOM 1966 CD GLU A 125 37.786 −0.739 −6.766 1.00 58.92 C ATOM 1967 OE1 GLU A 125 37.095 −1.730 −7.135 1.00 59.91 O ATOM 1968 OE2 GLU A 125 37.819 0.355 −7.409 1.00 68.22 O ATOM 1969 C GLU A 125 39.511 −1.074 −2.753 1.00 49.28 C ATOM 1970 O GLU A 125 40.486 −0.298 −2.858 1.00 51.06 O ATOM 1971 N ILE A 126 38.521 −0.843 −1.908 1.00 46.11 N ATOM 1973 CA ILE A 126 38.561 0.376 −1.157 1.00 43.32 C ATOM 1975 CB ILE A 126 37.142 0.953 −0.961 1.00 47.04 C ATOM 1977 CG1 ILE A 126 36.254 0.022 −0.122 1.00 44.04 C ATOM 1980 CD1 ILE A 126 34.965 0.642 0.383 1.00 50.45 C ATOM 1984 CG2 ILE A 126 36.539 1.274 −2.351 1.00 46.90 C ATOM 1988 C ILE A 126 39.288 0.228 0.142 1.00 44.66 C ATOM 1989 O ILE A 126 39.146 1.085 1.007 1.00 48.22 O ATOM 1990 N ALA A 127 40.093 −0.808 0.310 1.00 44.81 N ATOM 1992 CA ALA A 127 40.788 −0.914 1.580 1.00 48.39 C ATOM 1994 CB ALA A 127 40.982 −2.321 1.937 1.00 50.81 C ATOM 1998 C ALA A 127 42.119 −0.200 1.613 1.00 52.76 C ATOM 1999 O ALA A 127 42.699 0.145 0.574 1.00 59.40 O ATOM 2000 N ARG A 128 42.591 0.010 2.838 1.00 51.36 N ATOM 2002 CA ARG A 128 43.783 0.715 3.064 1.00 51.80 C ATOM 2004 CB ARG A 128 43.430 1.900 3.897 1.00 56.05 C ATOM 2007 CG ARG A 128 42.275 2.626 3.401 1.00 59.64 C ATOM 2010 CD ARG A 128 42.295 2.934 1.917 1.00 69.11 C ATOM 2013 NE ARG A 128 41.482 4.108 1.663 1.00 79.76 N ATOM 2015 CZ ARG A 128 41.839 5.318 2.018 1.00 81.91 C ATOM 2016 NH1 ARG A 128 43.001 5.508 2.630 1.00 80.28 N ATOM 2019 NH2 ARG A 128 41.039 6.335 1.759 1.00 87.99 N ATOM 2022 C ARG A 128 44.831 −0.135 3.828 1.00 51.97 C ATOM 2023 O ARG A 128 44.461 −0.987 4.689 1.00 49.70 O ATOM 2024 N PRO A 129 46.129 0.076 3.544 1.00 44.07 N ATOM 2025 CA PRO A 129 46.636 1.004 2.539 1.00 39.23 C ATOM 2027 CB PRO A 129 48.105 0.812 2.595 1.00 39.26 C ATOM 2030 CG PRO A 129 48.386 −0.019 3.710 1.00 44.63 C ATOM 2033 CD PRO A 129 47.196 −0.642 4.242 1.00 43.20 C ATOM 2036 C PRO A 129 46.254 0.674 1.113 1.00 45.48 C ATOM 2037 O PRO A 129 46.153 1.658 0.336 1.00 46.05 O ATOM 2038 N ASP A 130 46.101 −0.637 0.783 1.00 46.52 N ATOM 2040 CA ASP A 130 45.574 −1.009 −0.520 1.00 47.07 C ATOM 2042 CB ASP A 130 46.563 −0.676 −1.653 1.00 52.49 C ATOM 2045 CG ASP A 130 47.874 −1.365 −1.520 1.00 58.99 C ATOM 2046 OD1 ASP A 130 48.849 −0.917 −2.187 1.00 66.76 O ATOM 2047 OD2 ASP A 130 48.023 −2.366 −0.794 1.00 64.97 O ATOM 2048 C ASP A 130 44.937 −2.355 −0.652 1.00 44.59 C ATOM 2049 O ASP A 130 44.877 −3.167 0.272 1.00 50.22 O ATOM 2050 N ASP A 131 44.443 −2.606 −1.834 1.00 41.96 N ATOM 2052 CA ASP A 131 43.679 −3.802 −2.024 1.00 45.38 C ATOM 2054 CB ASP A 131 43.076 −3.828 −3.427 1.00 45.37 C ATOM 2057 CG ASP A 131 44.106 −4.043 −4.476 1.00 54.14 C ATOM 2058 OD1 ASP A 131 45.130 −4.692 −4.143 1.00 60.53 O ATOM 2059 OD2 ASP A 131 43.983 −3.593 −5.648 1.00 58.51 O ATOM 2060 C ASP A 131 44.437 −5.085 −1.770 1.00 41.04 C ATOM 2061 O ASP A 131 43.912 −6.123 −2.065 1.00 49.55 O ATOM 2062 N SER A 132 45.645 −5.050 −1.247 1.00 39.75 N ATOM 2064 CA SER A 132 46.409 −6.304 −1.002 1.00 45.06 C ATOM 2066 CB SER A 132 47.788 −6.174 −1.605 1.00 43.25 C ATOM 2069 OG SER A 132 48.375 −4.995 −1.060 1.00 53.72 O ATOM 2071 C SER A 132 46.582 −6.591 0.489 1.00 41.26 C ATOM 2072 O SER A 132 47.588 −7.115 0.938 1.00 52.36 O ATOM 2073 N LEU A 133 45.584 −6.162 1.242 1.00 43.42 N ATOM 2075 CA LEU A 133 45.558 −6.239 2.687 1.00 44.69 C ATOM 2077 CB LEU A 133 45.773 −4.923 3.419 1.00 41.73 C ATOM 2080 CG LEU A 133 45.518 −5.228 4.908 1.00 41.79 C ATOM 2082 CD1 LEU A 133 46.832 −5.498 5.559 1.00 39.80 C ATOM 2086 CD2 LEU A 133 44.771 −4.164 5.716 1.00 44.00 C ATOM 2090 C LEU A 133 44.166 −6.677 2.929 1.00 47.10 C ATOM 2091 O LEU A 133 43.330 −5.956 3.439 1.00 51.69 O ATOM 2092 N GLU A 134 43.977 −7.906 2.510 1.00 51.73 N ATOM 2094 CA GLU A 134 42.777 −8.725 2.630 1.00 48.06 C ATOM 2096 CB GLU A 134 43.241 −10.178 2.777 1.00 47.21 C ATOM 2099 CG GLU A 134 42.169 −11.212 3.013 1.00 52.87 C ATOM 2102 CD GLU A 134 42.689 −12.623 2.755 1.00 56.68 C ATOM 2103 OE1 GLU A 134 42.980 −12.874 1.569 1.00 55.42 O ATOM 2104 OE2 GLU A 134 42.817 −13.448 3.709 1.00 55.93 O ATOM 2105 C GLU A 134 41.837 −8.500 3.783 1.00 46.74 C ATOM 2106 O GLU A 134 42.237 −8.575 4.940 1.00 43.54 O ATOM 2107 N PRO A 135 40.576 −8.279 3.446 1.00 40.56 N ATOM 2108 CA PRO A 135 39.531 −8.099 4.437 1.00 37.41 C ATOM 2110 CB PRO A 135 38.355 −7.629 3.597 1.00 37.44 C ATOM 2113 CG PRO A 135 38.853 −7.363 2.237 1.00 40.45 C ATOM 2116 CD PRO A 135 40.071 −8.171 2.068 1.00 42.71 C ATOM 2119 C PRO A 135 39.174 −9.353 5.269 1.00 36.44 C ATOM 2120 O PRO A 135 39.366 −10.450 4.767 1.00 34.69 O ATOM 2121 N PHE A 136 38.668 −9.163 6.505 1.00 35.67 N ATOM 2123 CA PHE A 136 38.233 −10.241 7.427 1.00 31.72 C ATOM 2125 CB PHE A 136 37.463 −9.676 8.625 1.00 27.91 C ATOM 2128 CG PHE A 136 36.835 −10.727 9.517 1.00 28.87 C ATOM 2129 CD1 PHE A 136 37.537 −11.301 10.550 1.00 32.96 C ATOM 2131 CE1 PHE A 136 36.966 −12.267 11.382 1.00 33.11 C ATOM 2133 CZ PHE A 136 35.694 −12.663 11.195 1.00 33.91 C ATOM 2135 CE2 PHE A 136 34.968 −12.111 10.175 1.00 36.07 C ATOM 2137 CD2 PHE A 136 35.544 −11.137 9.333 1.00 37.92 C ATOM 2139 C PHE A 136 37.332 −11.218 6.753 1.00 35.77 C ATOM 2140 O PHE A 136 37.649 −12.376 6.668 1.00 45.44 O ATOM 2141 N PHE A 137 36.194 −10.778 6.261 1.00 40.56 N ATOM 2143 CA PHE A 137 35.282 −11.754 5.677 1.00 43.42 C ATOM 2145 CB PHE A 137 34.008 −11.132 5.014 1.00 43.68 C ATOM 2148 CG PHE A 137 32.841 −12.067 5.028 1.00 41.41 C ATOM 2149 CD1 PHE A 137 32.094 −12.231 6.160 1.00 38.90 C ATOM 2151 CE1 PHE A 137 31.051 −13.107 6.179 1.00 36.47 C ATOM 2153 CZ PHE A 137 30.751 −13.824 5.087 1.00 36.88 C ATOM 2155 CE2 PHE A 137 31.470 −13.682 3.958 1.00 39.68 C ATOM 2157 CD2 PHE A 137 32.516 −12.809 3.922 1.00 43.99 C ATOM 2159 C PHE A 137 36.106 −12.571 4.704 1.00 43.89 C ATOM 2160 O PHE A 137 36.159 −13.774 4.828 1.00 41.80 O ATOM 2161 N ASP A 138 36.778 −11.904 3.762 1.00 47.91 N ATOM 2163 CA ASP A 138 37.627 −12.581 2.776 1.00 47.51 C ATOM 2165 CB ASP A 138 38.618 −11.632 2.142 1.00 51.24 C ATOM 2168 CG ASP A 138 38.290 −11.344 0.725 1.00 54.56 C ATOM 2169 OD1 ASP A 138 38.836 −12.027 −0.179 1.00 66.25 O ATOM 2170 OD2 ASP A 138 37.492 −10.434 0.419 1.00 57.65 O ATOM 2171 C ASP A 138 38.436 −13.684 3.394 1.00 47.78 C ATOM 2172 O ASP A 138 38.505 −14.788 2.886 1.00 57.75 O ATOM 2173 N SER A 139 39.097 −13.385 4.482 1.00 46.16 N ATOM 2175 CA SER A 139 39.868 −14.405 5.145 1.00 42.31 C ATOM 2177 CB SER A 139 40.721 −13.740 6.204 1.00 42.45 C ATOM 2180 OG SER A 139 41.538 −12.754 5.615 1.00 35.20 O ATOM 2182 C SER A 139 38.967 −15.421 5.797 1.00 43.01 C ATOM 2183 O SER A 139 39.302 −16.570 5.891 1.00 42.82 O ATOM 2184 N LEU A 140 37.801 −15.016 6.279 1.00 50.41 N ATOM 2186 CA LEU A 140 36.939 −15.973 7.006 1.00 46.59 C ATOM 2188 CB LEU A 140 35.697 −15.302 7.483 1.00 47.69 C ATOM 2191 CG LEU A 140 34.729 −16.175 8.248 1.00 54.03 C ATOM 2193 CD1 LEU A 140 35.440 −16.828 9.380 1.00 56.74 C ATOM 2197 CD2 LEU A 140 33.562 −15.327 8.755 1.00 52.27 C ATOM 2201 C LEU A 140 36.541 −17.129 6.139 1.00 48.27 C ATOM 2202 O LEU A 140 36.391 −18.231 6.649 1.00 48.66 O ATOM 2203 N VAL A 141 36.363 −16.868 4.833 1.00 46.25 N ATOM 2205 CA VAL A 141 36.054 −17.909 3.873 1.00 48.65 C ATOM 2207 CB VAL A 141 35.281 −17.376 2.644 1.00 49.70 C ATOM 2209 CG1 VAL A 141 35.044 −18.555 1.662 1.00 50.68 C ATOM 2213 CG2 VAL A 141 33.952 −16.801 3.069 1.00 50.47 C ATOM 2217 C VAL A 141 37.251 −18.777 3.388 1.00 54.04 C ATOM 2218 O VAL A 141 37.121 −19.989 3.354 1.00 62.33 O ATOM 2219 N LYS A 142 38.390 −18.195 3.009 1.00 53.50 N ATOM 2221 CA LYS A 142 39.497 −18.997 2.510 1.00 51.72 C ATOM 2223 CB LYS A 142 40.720 −18.173 2.027 1.00 51.19 C ATOM 2226 CG LYS A 142 40.466 −16.996 1.006 1.00 55.43 C ATOM 2229 CD LYS A 142 41.790 −16.385 0.423 1.00 59.35 C ATOM 2232 CE LYS A 142 41.577 −15.659 −0.919 1.00 61.18 C ATOM 2235 NZ LYS A 142 40.212 −15.043 −0.953 1.00 69.14 N ATOM 2239 C LYS A 142 39.970 −20.002 3.571 1.00 52.97 C ATOM 2240 O LYS A 142 40.643 −20.968 3.211 1.00 55.66 O ATOM 2241 N GLN A 143 39.634 −19.800 4.851 1.00 47.49 N ATOM 2243 CA GLN A 143 40.189 −20.638 5.937 1.00 47.98 C ATOM 2245 CB GLN A 143 40.818 −19.777 7.058 1.00 44.95 C ATOM 2248 CG GLN A 143 42.180 −19.165 6.780 1.00 45.74 C ATOM 2251 CD GLN A 143 42.522 −17.951 7.691 1.00 52.26 C ATOM 2252 OE1 GLN A 143 42.548 −18.077 8.918 1.00 55.17 O ATOM 2253 NE2 GLN A 143 42.787 −16.783 7.081 1.00 48.24 N ATOM 2256 C GLN A 143 39.190 −21.579 6.594 1.00 52.56 C ATOM 2257 O GLN A 143 39.505 −22.219 7.600 1.00 57.47 O ATOM 2258 N THR A 144 37.989 −21.675 6.041 1.00 59.44 N ATOM 2260 CA THR A 144 36.913 −22.471 6.651 1.00 58.58 C ATOM 2262 CB THR A 144 36.225 −21.737 7.797 1.00 56.28 C ATOM 2264 OG1 THR A 144 35.191 −20.904 7.267 1.00 60.07 O ATOM 2266 CG2 THR A 144 37.139 −20.769 8.490 1.00 59.12 C ATOM 2270 C THR A 144 35.875 −22.756 5.581 1.00 59.57 C ATOM 2271 O THR A 144 36.071 −22.385 4.425 1.00 61.12 O ATOM 2272 N HIS A 145 34.772 −23.401 5.946 1.00 57.96 N ATOM 2274 CA HIS A 145 33.786 −23.769 4.930 1.00 61.46 C ATOM 2276 CB HIS A 145 33.315 −25.229 5.146 1.00 66.92 C ATOM 2279 CG HIS A 145 34.393 −26.252 4.917 1.00 73.97 C ATOM 2280 ND1 HIS A 145 35.092 −26.844 5.950 1.00 78.11 N ATOM 2282 CE1 HIS A 145 35.980 −27.687 5.453 1.00 77.67 C ATOM 2284 NE2 HIS A 145 35.882 −27.665 4.134 1.00 76.27 N ATOM 2286 CD2 HIS A 145 34.897 −26.777 3.774 1.00 75.10 C ATOM 2288 C HIS A 145 32.587 −22.826 4.899 1.00 57.13 C ATOM 2289 O HIS A 145 31.592 −23.086 4.214 1.00 57.76 O ATOM 2290 N VAL A 146 32.679 −21.728 5.629 1.00 52.17 N ATOM 2292 CA VAL A 146 31.539 −20.847 5.769 1.00 47.04 C ATOM 2294 CB VAL A 146 31.849 −19.669 6.681 1.00 48.57 C ATOM 2296 CG1 VAL A 146 30.713 −18.715 6.687 1.00 48.07 C ATOM 2300 CG2 VAL A 146 32.122 −20.147 8.110 1.00 49.78 C ATOM 2304 C VAL A 146 31.247 −20.301 4.426 1.00 42.53 C ATOM 2305 O VAL A 146 32.116 −19.728 3.817 1.00 45.79 O ATOM 2306 N PRO A 147 30.029 −20.472 3.950 1.00 37.44 N ATOM 2307 CA PRO A 147 29.613 −19.931 2.649 1.00 36.28 C ATOM 2309 CB PRO A 147 28.139 −20.275 2.599 1.00 38.81 C ATOM 2312 CG PRO A 147 28.062 −21.485 3.451 1.00 37.97 C ATOM 2315 CD PRO A 147 28.953 −21.213 4.609 1.00 37.03 C ATOM 2318 C PRO A 147 29.793 −18.397 2.535 1.00 38.62 C ATOM 2319 O PRO A 147 29.688 −17.668 3.519 1.00 36.50 O ATOM 2320 N ASN A 148 30.042 −17.926 1.318 1.00 37.03 N ATOM 2322 CA ASN A 148 30.370 −16.536 1.041 1.00 35.69 C ATOM 2324 CB ASN A 148 31.113 −16.480 −0.280 1.00 35.18 C ATOM 2327 CG ASN A 148 31.791 −15.208 −0.460 1.00 38.29 C ATOM 2328 OD1 ASN A 148 31.990 −14.492 0.507 1.00 48.87 O ATOM 2329 ND2 ASN A 148 32.170 −14.888 −1.683 1.00 45.21 N ATOM 2332 C ASN A 148 29.184 −15.584 0.950 1.00 37.44 C ATOM 2333 O ASN A 148 28.928 −14.994 −0.110 1.00 34.38 O ATOM 2334 N LEU A 149 28.498 −15.407 2.075 1.00 39.14 N ATOM 2336 CA LEU A 149 27.269 −14.634 2.168 1.00 37.49 C ATOM 2338 CB LEU A 149 26.071 −15.476 1.699 1.00 38.02 C ATOM 2341 CG LEU A 149 24.571 −15.300 2.049 1.00 45.01 C ATOM 2343 CD1 LEU A 149 23.843 −16.146 1.018 1.00 46.47 C ATOM 2347 CD2 LEU A 149 24.051 −15.748 3.449 1.00 46.97 C ATOM 2351 C LEU A 149 27.073 −14.349 3.619 1.00 41.29 C ATOM 2352 O LEU A 149 27.374 −15.200 4.445 1.00 43.07 O ATOM 2353 N PHE A 150 26.597 −13.160 3.957 1.00 43.88 N ATOM 2355 CA PHE A 150 26.128 −12.896 5.313 1.00 37.90 C ATOM 2357 CB PHE A 150 27.151 −12.168 6.146 1.00 36.97 C ATOM 2360 CG PHE A 150 27.514 −10.855 5.616 1.00 38.62 C ATOM 2361 CD1 PHE A 150 28.508 −10.731 4.664 1.00 43.40 C ATOM 2363 CE1 PHE A 150 28.849 −9.516 4.157 1.00 36.52 C ATOM 2365 CZ PHE A 150 28.202 −8.415 4.609 1.00 39.56 C ATOM 2367 CE2 PHE A 150 27.220 −8.530 5.564 1.00 32.53 C ATOM 2369 CD2 PHE A 150 26.885 −9.737 6.055 1.00 36.36 C ATOM 2371 C PHE A 150 24.854 −12.097 5.122 1.00 41.04 C ATOM 2372 O PHE A 150 24.632 −11.537 4.054 1.00 41.82 O ATOM 2373 N SER A 151 23.980 −12.071 6.121 1.00 44.62 N ATOM 2375 CA SER A 151 22.760 −11.287 6.018 1.00 40.62 C ATOM 2377 CB SER A 151 21.553 −12.207 5.931 1.00 43.08 C ATOM 2380 OG SER A 151 21.673 −13.313 6.803 1.00 53.44 O ATOM 2382 C SER A 151 22.708 −10.401 7.238 1.00 39.25 C ATOM 2383 O SER A 151 23.371 −10.749 8.190 1.00 40.13 O ATOM 2384 N LEU A 152 21.985 −9.260 7.214 1.00 38.62 N ATOM 2386 CA LEU A 152 21.755 −8.448 8.435 1.00 36.45 C ATOM 2388 CB LEU A 152 22.588 −7.166 8.446 1.00 35.08 C ATOM 2391 CG LEU A 152 24.121 −7.237 8.489 1.00 29.92 C ATOM 2393 CD1 LEU A 152 24.769 −5.957 8.014 1.00 28.56 C ATOM 2397 CD2 LEU A 152 24.536 −7.467 9.812 1.00 30.11 C ATOM 2401 C LEU A 152 20.305 −8.042 8.672 1.00 37.58 C ATOM 2402 O LEU A 152 19.591 −7.681 7.756 1.00 49.31 O ATOM 2403 N GLN A 153 19.877 −8.069 9.925 1.00 42.17 N ATOM 2405 CA GLN A 153 18.544 −7.609 10.332 1.00 37.31 C ATOM 2407 CB GLN A 153 17.636 −8.817 10.719 1.00 34.23 C ATOM 2410 CG GLN A 153 16.211 −8.478 11.173 1.00 38.27 C ATOM 2413 CD GLN A 153 15.562 −9.519 12.109 1.00 47.39 C ATOM 2414 OE1 GLN A 153 16.047 −9.755 13.231 1.00 58.66 O ATOM 2415 NE2 GLN A 153 14.465 −10.125 11.663 1.00 39.51 N ATOM 2418 C GLN A 153 18.798 −6.689 11.532 1.00 39.67 C ATOM 2419 O GLN A 153 18.980 −7.157 12.638 1.00 47.11 O ATOM 2420 N LEU A 154 18.830 −5.384 11.320 1.00 42.61 N ATOM 2422 CA LEU A 154 19.057 −4.410 12.397 1.00 42.93 C ATOM 2424 CB LEU A 154 19.826 −3.221 11.839 1.00 45.84 C ATOM 2427 CG LEU A 154 21.012 −3.514 10.947 1.00 40.27 C ATOM 2429 CD1 LEU A 154 21.452 −2.253 10.295 1.00 42.77 C ATOM 2433 CD2 LEU A 154 22.137 −4.067 11.759 1.00 42.65 C ATOM 2437 C LEU A 154 17.700 −3.937 12.912 1.00 42.07 C ATOM 2438 O LEU A 154 16.804 −3.804 12.136 1.00 50.21 O ATOM 2439 N CYS A 155 17.538 −3.646 14.191 1.00 45.97 N ATOM 2441 CA CYS A 155 16.180 −3.612 14.763 1.00 51.90 C ATOM 2443 CB CYS A 155 15.927 −4.865 15.662 1.00 51.86 C ATOM 2446 SG CYS A 155 15.554 −6.528 14.975 1.00 51.81 S ATOM 2447 C CYS A 155 15.967 −2.390 15.642 1.00 57.62 C ATOM 2448 O CYS A 155 16.114 −2.476 16.878 1.00 63.11 O ATOM 2449 N GLY A 156 15.631 −1.257 15.041 1.00 58.85 N ATOM 2451 CA GLY A 156 15.380 −0.072 15.830 1.00 62.65 C ATOM 2454 C GLY A 156 14.226 −0.446 16.728 1.00 66.48 C ATOM 2455 O GLY A 156 13.447 −1.309 16.342 1.00 69.64 O ATOM 2456 N ALA A 157 14.088 0.144 17.910 1.00 69.44 N ATOM 2458 CA ALA A 157 12.896 −0.169 18.704 1.00 72.46 C ATOM 2460 CB ALA A 157 13.304 −0.588 20.111 1.00 75.06 C ATOM 2464 C ALA A 157 11.799 0.960 18.698 1.00 73.42 C ATOM 2465 O ALA A 157 10.749 0.888 19.359 1.00 73.68 O ATOM 2466 N GLY A 158 12.015 2.000 17.926 1.00 74.47 N ATOM 2468 CA GLY A 158 11.010 3.043 17.837 1.00 78.58 C ATOM 2471 C GLY A 158 10.829 3.954 19.059 1.00 82.73 C ATOM 2472 O GLY A 158 9.947 4.825 19.033 1.00 85.96 O ATOM 2473 N PHE A 159 11.633 3.774 20.115 1.00 83.55 N ATOM 2475 CA PHE A 159 11.564 4.626 21.313 1.00 85.05 C ATOM 2477 CB PHE A 159 10.558 4.054 22.277 1.00 85.74 C ATOM 2480 CG PHE A 159 10.993 2.748 22.855 1.00 82.94 C ATOM 2481 CD1 PHE A 159 10.305 1.593 22.561 1.00 82.82 C ATOM 2483 CE1 PHE A 159 10.717 0.373 23.096 1.00 83.66 C ATOM 2485 CZ PHE A 159 11.831 0.325 23.935 1.00 82.59 C ATOM 2487 CE2 PHE A 159 12.519 1.491 24.228 1.00 80.31 C ATOM 2489 CD2 PHE A 159 12.099 2.683 23.686 1.00 79.87 C ATOM 2491 C PHE A 159 12.910 4.671 22.044 1.00 87.61 C ATOM 2492 O PHE A 159 13.494 3.624 22.302 1.00 87.56 O ATOM 2493 N PRO A 160 13.383 5.862 22.418 1.00 89.61 N ATOM 2494 CA PRO A 160 14.743 6.031 22.954 1.00 91.86 C ATOM 2496 CB PRO A 160 14.714 7.423 23.610 1.00 92.67 C ATOM 2499 CG PRO A 160 13.501 8.102 23.127 1.00 90.33 C ATOM 2502 CD PRO A 160 12.656 7.139 22.372 1.00 90.15 C ATOM 2505 C PRO A 160 15.261 5.019 23.970 1.00 91.59 C ATOM 2506 O PRO A 160 14.535 4.311 24.654 1.00 87.47 O ATOM 2507 N LEU A 161 16.582 5.002 24.046 1.00 94.49 N ATOM 2509 CA LEU A 161 17.318 4.103 24.906 1.00 97.03 C ATOM 2511 CB LEU A 161 17.885 2.918 24.078 1.00 96.28 C ATOM 2514 CG LEU A 161 17.017 1.707 23.671 1.00 94.82 C ATOM 2516 CD1 LEU A 161 17.658 0.923 22.493 1.00 93.82 C ATOM 2520 CD2 LEU A 161 16.735 0.783 24.864 1.00 93.08 C ATOM 2524 C LEU A 161 18.475 4.906 25.503 1.00 98.82 C ATOM 2525 O LEU A 161 18.848 5.967 24.987 1.00 98.25 O ATOM 2526 N GLN A 162 19.013 4.404 26.608 1.00 101.00 N ATOM 2528 CA GLN A 162 20.290 4.865 27.135 1.00 101.95 C ATOM 2530 CB GLN A 162 20.225 5.088 28.660 1.00 103.13 C ATOM 2533 CG GLN A 162 19.060 5.934 29.201 1.00 102.96 C ATOM 2536 CD GLN A 162 18.651 5.522 30.624 1.00 104.66 C ATOM 2537 OE1 GLN A 162 17.703 6.076 31.190 1.00 104.03 O ATOM 2538 NE2 GLN A 162 19.365 4.548 31.196 1.00 103.68 N ATOM 2541 C GLN A 162 21.315 3.748 26.850 1.00 102.26 C ATOM 2542 O GLN A 162 20.958 2.612 26.522 1.00 99.57 O ATOM 2543 N GLN A 163 22.593 4.079 26.965 1.00 104.53 N ATOM 2545 CA GLN A 163 23.655 3.073 26.995 1.00 105.21 C ATOM 2547 CB GLN A 163 24.906 3.716 27.567 1.00 105.72 C ATOM 2550 CG GLN A 163 26.028 2.741 27.928 1.00 105.46 C ATOM 2553 CD GLN A 163 27.384 3.435 27.930 1.00 103.07 C ATOM 2554 OE1 GLN A 163 27.767 4.048 28.924 1.00 96.11 O ATOM 2555 NE2 GLN A 163 28.105 3.345 26.814 1.00 101.46 N ATOM 2558 C GLN A 163 23.314 1.874 27.894 1.00 105.84 C ATOM 2559 O GLN A 163 23.625 0.716 27.561 1.00 105.65 O ATOM 2560 N SER A 164 22.684 2.167 29.034 1.00 105.53 N ATOM 2562 CA SER A 164 22.315 1.146 30.020 1.00 105.77 C ATOM 2564 CB SER A 164 21.632 1.798 31.227 1.00 106.94 C ATOM 2567 OG SER A 164 21.798 1.017 32.400 1.00 107.14 O ATOM 2569 C SER A 164 21.335 0.192 29.374 1.00 105.64 C ATOM 2570 O SER A 164 21.407 −1.065 29.492 1.00 105.75 O ATOM 2571 N GLU A 165 20.403 0.835 28.682 1.00 102.30 N ATOM 2573 CA GLU A 165 19.381 0.105 27.976 1.00 98.16 C ATOM 2575 CB GLU A 165 18.355 1.082 27.415 1.00 98.15 C ATOM 2578 CG GLU A 165 17.997 2.126 28.479 1.00 99.91 C ATOM 2581 CD GLU A 165 16.584 2.687 28.403 1.00 98.66 C ATOM 2582 OE1 GLU A 165 15.621 1.933 28.642 1.00 94.69 O ATOM 2583 OE2 GLU A 165 16.444 3.900 28.123 1.00 100.25 O ATOM 2584 C GLU A 165 20.072 −0.690 26.891 1.00 95.52 C ATOM 2585 O GLU A 165 19.903 −1.909 26.807 1.00 92.32 O ATOM 2586 N VAL A 166 20.884 0.002 26.095 1.00 92.23 N ATOM 2588 CA VAL A 166 21.552 −0.618 24.959 1.00 90.08 C ATOM 2590 CB VAL A 166 22.637 0.280 24.385 1.00 89.46 C ATOM 2592 CG1 VAL A 166 23.997 −0.471 24.238 1.00 89.54 C ATOM 2596 CG2 VAL A 166 22.180 0.834 23.067 1.00 89.64 C ATOM 2600 C VAL A 166 22.155 −1.969 25.275 1.00 89.54 C ATOM 2601 O VAL A 166 21.868 −2.949 24.587 1.00 90.45 O ATOM 2602 N LEU A 167 22.988 −2.039 26.306 1.00 89.05 N ATOM 2604 CA LEU A 167 23.644 −3.308 26.620 1.00 88.10 C ATOM 2606 CB LEU A 167 24.572 −3.201 27.852 1.00 87.51 C ATOM 2609 CG LEU A 167 25.665 −2.130 27.780 1.00 89.06 C ATOM 2611 CD1 LEU A 167 25.990 −1.526 29.151 1.00 88.01 C ATOM 2615 CD2 LEU A 167 26.921 −2.670 27.122 1.00 88.50 C ATOM 2619 C LEU A 167 22.606 −4.403 26.851 1.00 84.50 C ATOM 2620 O LEU A 167 22.770 −5.521 26.386 1.00 82.46 O ATOM 2621 N ALA A 168 21.533 −4.071 27.554 1.00 82.79 N ATOM 2623 CA ALA A 168 20.565 −5.083 27.974 1.00 83.99 C ATOM 2625 CB ALA A 168 19.807 −4.567 29.200 1.00 84.06 C ATOM 2629 C ALA A 168 19.560 −5.604 26.929 1.00 84.00 C ATOM 2630 O ALA A 168 18.918 −6.627 27.179 1.00 83.07 O ATOM 2631 N SER A 169 19.423 −4.940 25.776 1.00 82.75 N ATOM 2633 CA SER A 169 18.339 −5.295 24.845 1.00 82.41 C ATOM 2635 CB SER A 169 17.199 −4.258 24.968 1.00 83.85 C ATOM 2638 OG SER A 169 16.810 −4.032 26.327 1.00 80.23 O ATOM 2640 C SER A 169 18.735 −5.521 23.349 1.00 81.77 C ATOM 2641 O SER A 169 19.377 −4.675 22.718 1.00 80.20 O ATOM 2642 N VAL A 170 18.303 −6.674 22.816 1.00 79.25 N ATOM 2644 CA VAL A 170 18.634 −7.170 21.469 1.00 74.78 C ATOM 2646 CB VAL A 170 17.885 −8.506 21.198 1.00 76.32 C ATOM 2648 CG1 VAL A 170 18.278 −9.111 19.831 1.00 75.02 C ATOM 2652 CG2 VAL A 170 18.143 −9.504 22.334 1.00 77.47 C ATOM 2656 C VAL A 170 18.329 −6.185 20.326 1.00 70.08 C ATOM 2657 O VAL A 170 17.197 −5.720 20.160 1.00 70.47 O ATOM 2658 N GLY A 171 19.345 −5.895 19.525 1.00 58.93 N ATOM 2660 CA GLY A 171 19.208 −4.921 18.482 1.00 51.34 C ATOM 2663 C GLY A 171 19.305 −5.525 17.115 1.00 47.82 C ATOM 2664 O GLY A 171 19.166 −4.812 16.149 1.00 51.16 O ATOM 2665 N GLY A 172 19.548 −6.821 16.992 1.00 43.16 N ATOM 2667 CA GLY A 172 19.604 −7.381 15.654 1.00 40.82 C ATOM 2670 C GLY A 172 20.369 −8.678 15.473 1.00 42.31 C ATOM 2671 O GLY A 172 20.653 −9.404 16.439 1.00 39.19 O ATOM 2672 N SER A 173 20.705 −8.960 14.214 1.00 39.65 N ATOM 2674 CA SER A 173 21.301 −10.233 13.857 1.00 37.97 C ATOM 2676 CB SER A 173 20.194 −11.203 13.497 1.00 36.33 C ATOM 2679 OG SER A 173 19.416 −11.435 14.634 1.00 46.54 O ATOM 2681 C SER A 173 22.205 −10.181 12.664 1.00 39.01 C ATOM 2682 O SER A 173 21.805 −9.673 11.590 1.00 36.11 O ATOM 2683 N MET A 174 23.411 −10.705 12.853 1.00 35.19 N ATOM 2685 CA MET A 174 24.339 −10.883 11.749 1.00 40.44 C ATOM 2687 CB MET A 174 25.676 −10.261 12.040 1.00 40.55 C ATOM 2690 CG MET A 174 26.481 −10.176 10.760 1.00 45.60 C ATOM 2693 SD MET A 174 28.136 −9.627 10.960 1.00 47.63 S ATOM 2694 CE MET A 174 28.387 −10.094 12.700 1.00 54.56 C ATOM 2698 C MET A 174 24.483 −12.394 11.516 1.00 41.84 C ATOM 2699 O MET A 174 25.013 −13.111 12.356 1.00 48.31 O ATOM 2700 N ILE A 175 24.003 −12.875 10.383 1.00 38.41 N ATOM 2702 CA ILE A 175 23.939 −14.288 10.136 1.00 37.39 C ATOM 2704 CB ILE A 175 22.628 −14.676 9.443 1.00 39.69 C ATOM 2706 CG1 ILE A 175 21.448 −14.387 10.364 1.00 40.97 C ATOM 2709 CD1 ILE A 175 21.449 −15.213 11.578 1.00 36.79 C ATOM 2713 CG2 ILE A 175 22.653 −16.089 9.035 1.00 35.35 C ATOM 2717 C ILE A 175 25.021 −14.522 9.202 1.00 38.73 C ATOM 2718 O ILE A 175 24.892 −14.246 8.037 1.00 40.30 O ATOM 2719 N ILE A 176 26.109 −15.038 9.722 1.00 42.09 N ATOM 2721 CA ILE A 176 27.257 −15.301 8.926 1.00 37.74 C ATOM 2723 CB ILE A 176 28.382 −15.377 9.844 1.00 35.36 C ATOM 2725 CG1 ILE A 176 28.371 −14.125 10.699 1.00 32.86 C ATOM 2728 CD1 ILE A 176 29.740 −13.602 11.051 1.00 37.77 C ATOM 2732 CG2 ILE A 176 29.673 −15.621 9.060 1.00 38.65 C ATOM 2736 C ILE A 176 27.119 −16.617 8.202 1.00 43.85 C ATOM 2737 O ILE A 176 27.178 −17.681 8.802 1.00 49.67 O ATOM 2738 N GLY A 177 26.890 −16.568 6.912 1.00 44.93 N ATOM 2740 CA GLY A 177 27.003 −17.783 6.139 1.00 45.46 C ATOM 2743 C GLY A 177 25.734 −18.428 5.673 1.00 42.70 C ATOM 2744 O GLY A 177 25.751 −19.498 5.054 1.00 47.24 O ATOM 2745 N GLY A 178 24.619 −17.791 5.934 1.00 40.94 N ATOM 2747 CA GLY A 178 23.369 −18.400 5.553 1.00 38.84 C ATOM 2750 C GLY A 178 22.355 −17.317 5.705 1.00 36.04 C ATOM 2751 O GLY A 178 22.754 −16.229 6.066 1.00 32.65 O ATOM 2752 N ILE A 179 21.086 −17.636 5.418 1.00 38.29 N ATOM 2754 CA ILE A 179 19.922 −16.748 5.502 1.00 36.73 C ATOM 2756 CB ILE A 179 19.262 −16.733 4.137 1.00 38.18 C ATOM 2758 CG1 ILE A 179 20.269 −16.324 3.069 1.00 38.79 C ATOM 2761 CD1 ILE A 179 19.789 −16.538 1.644 1.00 37.73 C ATOM 2765 CG2 ILE A 179 18.144 −15.825 4.105 1.00 40.58 C ATOM 2769 C ILE A 179 19.019 −17.446 6.489 1.00 39.59 C ATOM 2770 O ILE A 179 18.914 −18.666 6.450 1.00 42.86 O ATOM 2771 N ASP A 180 18.355 −16.727 7.387 1.00 43.92 N ATOM 2773 CA ASP A 180 17.497 −17.405 8.388 1.00 40.32 C ATOM 2775 CB ASP A 180 17.913 −17.030 9.788 1.00 42.54 C ATOM 2778 CG ASP A 180 16.967 −17.607 10.824 1.00 45.20 C ATOM 2779 OD1 ASP A 180 17.452 −17.999 11.899 1.00 38.88 O ATOM 2780 OD2 ASP A 180 15.717 −17.695 10.630 1.00 43.52 O ATOM 2781 C ASP A 180 16.012 −17.138 8.278 1.00 38.18 C ATOM 2782 O ASP A 180 15.533 −16.094 8.669 1.00 44.65 O ATOM 2783 N HIS A 181 15.272 −18.105 7.782 1.00 42.63 N ATOM 2785 CA HIS A 181 13.864 −17.928 7.490 1.00 41.71 C ATOM 2787 CB HIS A 181 13.320 −19.226 6.973 1.00 48.30 C ATOM 2790 CG HIS A 181 13.911 −19.569 5.657 1.00 63.31 C ATOM 2791 ND1 HIS A 181 13.525 −18.933 4.495 1.00 74.50 N ATOM 2793 CE1 HIS A 181 14.230 −19.409 3.483 1.00 79.36 C ATOM 2795 NE2 HIS A 181 15.065 −20.328 3.950 1.00 79.27 N ATOM 2797 CD2 HIS A 181 14.890 −20.439 5.310 1.00 71.55 C ATOM 2799 C HIS A 181 12.983 −17.340 8.538 1.00 37.16 C ATOM 2800 O HIS A 181 11.899 −16.873 8.232 1.00 39.58 O ATOM 2801 N SER A 182 13.421 −17.329 9.773 1.00 37.68 N ATOM 2803 CA SER A 182 12.603 −16.703 10.793 1.00 41.51 C ATOM 2805 CB SER A 182 12.986 −17.234 12.149 1.00 42.17 C ATOM 2808 OG SER A 182 14.344 −16.913 12.339 1.00 43.89 O ATOM 2810 C SER A 182 12.765 −15.204 10.848 1.00 39.23 C ATOM 2811 O SER A 182 12.013 −14.548 11.554 1.00 46.71 O ATOM 2812 N LEU A 183 13.730 −14.644 10.130 1.00 38.97 N ATOM 2814 CA LEU A 183 13.967 −13.201 10.197 1.00 35.60 C ATOM 2816 CB LEU A 183 15.456 −12.924 10.189 1.00 33.38 C ATOM 2819 CG LEU A 183 16.258 −13.474 11.374 1.00 31.83 C ATOM 2821 CD1 LEU A 183 17.709 −13.477 11.088 1.00 31.76 C ATOM 2825 CD2 LEU A 183 16.069 −12.666 12.607 1.00 41.82 C ATOM 2829 C LEU A 183 13.318 −12.400 9.068 1.00 38.07 C ATOM 2830 O LEU A 183 13.701 −11.288 8.820 1.00 42.04 O ATOM 2831 N TYR A 184 12.336 −12.956 8.367 1.00 44.43 N ATOM 2833 CA TYR A 184 11.639 −12.209 7.320 1.00 33.34 C ATOM 2835 CB TYR A 184 12.516 −12.087 6.063 1.00 38.72 C ATOM 2838 CG TYR A 184 12.775 −13.281 5.134 1.00 35.86 C ATOM 2839 CD1 TYR A 184 13.928 −14.047 5.248 1.00 43.79 C ATOM 2841 CE1 TYR A 184 14.184 −15.099 4.406 1.00 39.71 C ATOM 2843 CZ TYR A 184 13.294 −15.400 3.426 1.00 40.90 C ATOM 2844 OH TYR A 184 13.537 −16.460 2.577 1.00 45.55 O ATOM 2846 CE2 TYR A 184 12.159 −14.656 3.277 1.00 38.72 C ATOM 2848 CD2 TYR A 184 11.911 −13.599 4.127 1.00 36.47 C ATOM 2850 C TYR A 184 10.304 −12.811 7.005 1.00 36.16 C ATOM 2851 O TYR A 184 10.067 −13.961 7.352 1.00 30.88 O ATOM 2852 N THR A 185 9.419 −12.023 6.383 1.00 37.93 N ATOM 2854 CA THR A 185 8.171 −12.549 5.846 1.00 40.81 C ATOM 2856 CB THR A 185 6.922 −11.913 6.441 1.00 43.15 C ATOM 2858 OG1 THR A 185 6.918 −10.491 6.207 1.00 43.97 O ATOM 2860 CG2 THR A 185 6.843 −12.140 7.970 1.00 42.48 C ATOM 2864 C THR A 185 8.152 −12.271 4.378 1.00 37.63 C ATOM 2865 O THR A 185 8.862 −11.408 3.929 1.00 36.37 O ATOM 2866 N GLY A 186 7.321 −12.992 3.637 1.00 34.86 N ATOM 2868 CA GLY A 186 7.221 −12.791 2.205 1.00 37.11 C ATOM 2871 C GLY A 186 8.449 −13.300 1.469 1.00 38.69 C ATOM 2872 O GLY A 186 9.179 −14.161 1.954 1.00 44.04 O ATOM 2873 N SER A 187 8.667 −12.736 0.288 1.00 41.42 N ATOM 2875 CA SER A 187 9.797 −13.062 −0.552 1.00 43.18 C ATOM 2877 CB SER A 187 9.346 −13.063 −1.989 1.00 50.00 C ATOM 2880 OG SER A 187 8.254 −13.936 −2.139 1.00 54.96 O ATOM 2882 C SER A 187 10.934 −12.059 −0.443 1.00 44.84 C ATOM 2883 O SER A 187 10.749 −10.938 0.064 1.00 42.30 O ATOM 2884 N LEU A 188 12.094 −12.514 −0.943 1.00 39.28 N ATOM 2886 CA LEU A 188 13.369 −11.810 −1.031 1.00 33.66 C ATOM 2888 CB LEU A 188 14.482 −12.824 −0.789 1.00 28.67 C ATOM 2891 CG LEU A 188 15.028 −12.884 0.614 1.00 36.42 C ATOM 2893 CD1 LEU A 188 15.736 −14.211 0.813 1.00 40.88 C ATOM 2897 CD2 LEU A 188 15.971 −11.777 0.889 1.00 34.49 C ATOM 2901 C LEU A 188 13.515 −11.417 −2.474 1.00 31.52 C ATOM 2902 O LEU A 188 13.359 −12.268 −3.294 1.00 41.60 O ATOM 2903 N TRP A 189 13.803 −10.177 −2.822 1.00 31.35 N ATOM 2905 CA TRP A 189 14.040 −9.830 −4.230 1.00 33.70 C ATOM 2907 CB TRP A 189 13.132 −8.688 −4.683 1.00 39.33 C ATOM 2910 CG TRP A 189 11.729 −9.074 −4.947 1.00 37.95 C ATOM 2911 CD1 TRP A 189 10.779 −9.313 −4.033 1.00 35.87 C ATOM 2913 NE1 TRP A 189 9.600 −9.646 −4.649 1.00 34.16 N ATOM 2915 CE2 TRP A 189 9.790 −9.626 −6.001 1.00 38.81 C ATOM 2916 CD2 TRP A 189 11.125 −9.267 −6.224 1.00 35.31 C ATOM 2917 CE3 TRP A 189 11.586 −9.181 −7.539 1.00 35.10 C ATOM 2919 CZ3 TRP A 189 10.725 −9.447 −8.559 1.00 43.54 C ATOM 2921 CH2 TRP A 189 9.384 −9.805 −8.305 1.00 44.03 C ATOM 2923 CZ2 TRP A 189 8.904 −9.898 −7.034 1.00 40.92 C ATOM 2925 C TRP A 189 15.493 −9.361 −4.344 1.00 34.18 C ATOM 2926 O TRP A 189 15.950 −8.570 −3.567 1.00 34.73 O ATOM 2927 N TYR A 190 16.217 −9.852 −5.317 1.00 34.76 N ATOM 2929 CA TYR A 190 17.603 −9.539 −5.412 1.00 36.58 C ATOM 2931 CB TYR A 190 18.341 −10.800 −5.769 1.00 38.76 C ATOM 2934 CG TYR A 190 18.382 −11.826 −4.657 1.00 40.52 C ATOM 2935 CD1 TYR A 190 17.485 −12.875 −4.609 1.00 43.16 C ATOM 2937 CE1 TYR A 190 17.541 −13.817 −3.580 1.00 43.91 C ATOM 2939 CZ TYR A 190 18.506 −13.685 −2.615 1.00 42.77 C ATOM 2940 OH TYR A 190 18.608 −14.594 −1.566 1.00 46.77 O ATOM 2942 CE2 TYR A 190 19.384 −12.642 −2.677 1.00 35.63 C ATOM 2944 CD2 TYR A 190 19.327 −11.742 −3.668 1.00 35.67 C ATOM 2946 C TYR A 190 17.886 −8.451 −6.430 1.00 38.30 C ATOM 2947 O TYR A 190 17.248 −8.420 −7.424 1.00 34.41 O ATOM 2948 N THR A 191 18.850 −7.567 −6.133 1.00 41.18 N ATOM 2950 CA THR A 191 19.299 −6.512 −7.025 1.00 37.26 C ATOM 2952 CB THR A 191 19.056 −5.091 −6.438 1.00 38.25 C ATOM 2954 OG1 THR A 191 19.283 −4.111 −7.448 1.00 41.41 O ATOM 2956 CG2 THR A 191 20.057 −4.689 −5.419 1.00 31.07 C ATOM 2960 C THR A 191 20.782 −6.721 −7.200 1.00 39.94 C ATOM 2961 O THR A 191 21.489 −7.008 −6.264 1.00 41.73 O ATOM 2962 N PRO A 192 21.281 −6.578 −8.395 1.00 39.23 N ATOM 2963 CA PRO A 192 22.679 −6.840 −8.617 1.00 39.19 C ATOM 2965 CB PRO A 192 22.824 −6.565 −10.111 1.00 41.47 C ATOM 2968 CG PRO A 192 21.484 −6.730 −10.671 1.00 36.70 C ATOM 2971 CD PRO A 192 20.603 −6.152 −9.629 1.00 41.63 C ATOM 2974 C PRO A 192 23.568 −5.885 −7.860 1.00 41.91 C ATOM 2975 O PRO A 192 23.164 −4.808 −7.531 1.00 43.47 O ATOM 2976 N ILE A 193 24.784 −6.324 −7.580 1.00 46.52 N ATOM 2978 CA ILE A 193 25.827 −5.467 −7.076 1.00 42.19 C ATOM 2980 CB ILE A 193 26.764 −6.250 −6.239 1.00 38.18 C ATOM 2982 CG1 ILE A 193 26.159 −6.585 −4.906 1.00 41.41 C ATOM 2985 CD1 ILE A 193 27.036 −7.645 −4.107 1.00 45.77 C ATOM 2989 CG2 ILE A 193 27.961 −5.447 −5.994 1.00 42.22 C ATOM 2993 C ILE A 193 26.603 −5.049 −8.313 1.00 44.50 C ATOM 2994 O ILE A 193 27.213 −5.903 −8.984 1.00 44.15 O ATOM 2995 N ARG A 194 26.596 −3.762 −8.626 1.00 44.93 N ATOM 2997 CA ARG A 194 27.234 −3.288 −9.846 1.00 47.47 C ATOM 2999 CB ARG A 194 26.904 −1.813 −10.032 1.00 52.04 C ATOM 3002 CG ARG A 194 27.273 −1.190 −11.424 1.00 54.84 C ATOM 3005 CD ARG A 194 27.414 0.291 −11.320 1.00 51.97 C ATOM 3008 NE ARG A 194 27.329 1.055 −12.548 1.00 49.01 N ATOM 3010 CZ ARG A 194 27.591 2.367 −12.600 1.00 45.93 C ATOM 3011 NH1 ARG A 194 27.960 3.039 −11.509 1.00 41.67 N ATOM 3014 NH2 ARG A 194 27.492 3.018 −13.742 1.00 51.03 N ATOM 3017 C ARG A 194 28.763 −3.469 −9.869 1.00 53.38 C ATOM 3018 O ARG A 194 29.331 −3.747 −10.924 1.00 57.83 O ATOM 3019 N ARG A 195 29.433 −3.341 −8.723 1.00 49.23 N ATOM 3021 CA ARG A 195 30.887 −3.378 −8.698 1.00 49.56 C ATOM 3023 CB ARG A 195 31.470 −1.973 −8.965 1.00 49.15 C ATOM 3026 CG ARG A 195 32.684 −1.929 −9.832 1.00 45.49 C ATOM 3029 CD ARG A 195 33.888 −1.211 −9.229 1.00 54.35 C ATOM 3032 NE ARG A 195 33.658 0.142 −8.774 1.00 52.34 N ATOM 3034 CZ ARG A 195 34.625 0.982 −8.430 1.00 58.59 C ATOM 3035 NH1 ARG A 195 35.892 0.624 −8.476 1.00 59.01 N ATOM 3038 NH2 ARG A 195 34.335 2.210 −8.029 1.00 62.23 N ATOM 3041 C ARG A 195 31.317 −3.740 −7.314 1.00 51.05 C ATOM 3042 O ARG A 195 30.795 −3.169 −6.362 1.00 44.37 O ATOM 3043 N GLU A 196 32.281 −4.648 −7.173 1.00 52.25 N ATOM 3045 CA GLU A 196 32.723 −4.988 −5.831 1.00 53.43 C ATOM 3047 CB GLU A 196 33.192 −6.461 −5.735 1.00 57.30 C ATOM 3050 CG GLU A 196 32.048 −7.476 −5.923 1.00 59.93 C ATOM 3053 CD GLU A 196 32.485 −8.961 −5.919 1.00 65.83 C ATOM 3054 OE1 GLU A 196 32.977 −9.443 −6.966 1.00 59.79 O ATOM 3055 OE2 GLU A 196 32.327 −9.670 −4.885 1.00 64.02 O ATOM 3056 C GLU A 196 33.758 −3.977 −5.341 1.00 47.93 C ATOM 3057 O GLU A 196 34.933 −4.143 −5.563 1.00 45.07 O ATOM 3058 N TRP A 197 33.274 −2.911 −4.694 1.00 44.26 N ATOM 3060 CA TRP A 197 34.115 −1.929 −4.021 1.00 39.52 C ATOM 3062 CB TRP A 197 34.594 −0.730 −4.922 1.00 45.44 C ATOM 3065 CG TRP A 197 33.660 0.246 −5.517 1.00 40.87 C ATOM 3066 CD1 TRP A 197 32.438 0.002 −5.994 1.00 49.82 C ATOM 3068 NE1 TRP A 197 31.860 1.157 −6.468 1.00 45.72 N ATOM 3070 CE2 TRP A 197 32.731 2.186 −6.302 1.00 42.13 C ATOM 3071 CD2 TRP A 197 33.885 1.649 −5.705 1.00 45.88 C ATOM 3072 CE3 TRP A 197 34.945 2.509 −5.427 1.00 46.01 C ATOM 3074 CZ3 TRP A 197 34.813 3.842 −5.746 1.00 47.92 C ATOM 3076 CH2 TRP A 197 33.651 4.330 −6.338 1.00 50.66 C ATOM 3078 CZ2 TRP A 197 32.600 3.515 −6.626 1.00 43.28 C ATOM 3080 C TRP A 197 33.334 −1.576 −2.764 1.00 38.50 C ATOM 3081 O TRP A 197 33.528 −2.184 −1.733 1.00 49.55 O ATOM 3082 N TYR A 198 32.472 −0.599 −2.786 1.00 38.10 N ATOM 3084 CA TYR A 198 31.466 −0.531 −1.734 1.00 37.22 C ATOM 3086 CB TYR A 198 30.770 0.851 −1.643 1.00 35.77 C ATOM 3089 CG TYR A 198 31.675 2.028 −1.405 1.00 36.02 C ATOM 3090 CD1 TYR A 198 31.813 2.562 −0.142 1.00 38.94 C ATOM 3092 CE1 TYR A 198 32.633 3.626 0.094 1.00 39.66 C ATOM 3094 CZ TYR A 198 33.343 4.193 −0.948 1.00 44.31 C ATOM 3095 OH TYR A 198 34.174 5.269 −0.701 1.00 46.07 O ATOM 3097 CE2 TYR A 198 33.225 3.681 −2.233 1.00 44.86 C ATOM 3099 CD2 TYR A 198 32.386 2.595 −2.448 1.00 42.57 C ATOM 3101 C TYR A 198 30.433 −1.521 −2.214 1.00 33.99 C ATOM 3102 O TYR A 198 30.574 −2.022 −3.287 1.00 30.84 O ATOM 3103 N TYR A 199 29.405 −1.802 −1.418 1.00 38.45 N ATOM 3105 CA TYR A 199 28.256 −2.557 −1.900 1.00 37.49 C ATOM 3107 CB TYR A 199 27.490 −3.208 −0.728 1.00 36.73 C ATOM 3110 CG TYR A 199 28.233 −4.329 −0.047 1.00 32.48 C ATOM 3111 CD1 TYR A 199 28.787 −4.165 1.205 1.00 33.92 C ATOM 3113 CE1 TYR A 199 29.453 −5.141 1.822 1.00 32.06 C ATOM 3115 CZ TYR A 199 29.573 −6.299 1.193 1.00 32.26 C ATOM 3116 OH TYR A 199 30.243 −7.369 1.769 1.00 34.61 O ATOM 3118 CE2 TYR A 199 29.024 −6.485 −0.047 1.00 33.09 C ATOM 3120 CD2 TYR A 199 28.372 −5.519 −0.644 1.00 33.21 C ATOM 3122 C TYR A 199 27.368 −1.525 −2.645 1.00 42.41 C ATOM 3123 O TYR A 199 26.418 −0.978 −2.075 1.00 45.22 O ATOM 3124 N GLU A 200 27.702 −1.272 −3.910 1.00 43.18 N ATOM 3126 CA GLU A 200 27.054 −0.284 −4.777 1.00 43.16 C ATOM 3128 CB GLU A 200 28.089 0.193 −5.809 1.00 46.83 C ATOM 3131 CG GLU A 200 27.626 1.383 −6.660 1.00 52.95 C ATOM 3134 CD GLU A 200 28.337 1.543 −7.977 1.00 51.92 C ATOM 3135 OE1 GLU A 200 29.496 1.164 −8.085 1.00 56.62 O ATOM 3136 OE2 GLU A 200 27.715 2.055 −8.901 1.00 54.72 O ATOM 3137 C GLU A 200 25.857 −0.816 −5.577 1.00 44.00 C ATOM 3138 O GLU A 200 25.993 −1.789 −6.319 1.00 48.61 O ATOM 3139 N VAL A 201 24.691 −0.193 −5.481 1.00 37.72 N ATOM 3141 CA VAL A 201 23.583 −0.713 −6.250 1.00 38.06 C ATOM 3143 CB VAL A 201 22.598 −1.332 −5.374 1.00 33.81 C ATOM 3145 CG1 VAL A 201 23.127 −2.629 −4.926 1.00 36.02 C ATOM 3149 CG2 VAL A 201 22.411 −0.506 −4.261 1.00 33.46 C ATOM 3153 C VAL A 201 22.911 0.371 −7.006 1.00 36.84 C ATOM 3154 O VAL A 201 23.235 1.474 −6.781 1.00 46.66 O ATOM 3155 N ILE A 202 21.975 0.073 −7.877 1.00 41.86 N ATOM 3157 CA ILE A 202 21.271 1.122 −8.619 1.00 45.62 C ATOM 3159 CB ILE A 202 21.435 0.898 −9.997 1.00 47.37 C ATOM 3161 CG1 ILE A 202 22.924 0.945 −10.223 1.00 50.21 C ATOM 3164 CD1 ILE A 202 23.240 1.610 −11.515 1.00 50.75 C ATOM 3168 CG2 ILE A 202 20.619 2.021 −10.700 1.00 47.14 C ATOM 3172 C ILE A 202 19.779 1.335 −8.517 1.00 46.10 C ATOM 3173 O ILE A 202 19.001 0.401 −8.788 1.00 46.34 O ATOM 3174 N ILE A 203 19.438 2.595 −8.195 1.00 44.21 N ATOM 3176 CA ILE A 203 18.092 3.089 −7.882 1.00 41.01 C ATOM 3178 CB ILE A 203 18.195 4.290 −6.931 1.00 42.75 C ATOM 3180 CG1 ILE A 203 18.885 3.856 −5.629 1.00 36.25 C ATOM 3183 CD1 ILE A 203 18.487 4.666 −4.472 1.00 37.62 C ATOM 3187 CG2 ILE A 203 16.754 4.972 −6.754 1.00 42.00 C ATOM 3191 C ILE A 203 17.508 3.646 −9.096 1.00 43.71 C ATOM 3192 O ILE A 203 18.164 4.384 −9.797 1.00 45.90 O ATOM 3193 N VAL A 204 16.259 3.369 −9.374 1.00 43.96 N ATOM 3195 CA VAL A 204 15.807 3.811 −10.662 1.00 43.46 C ATOM 3197 CB VAL A 204 15.743 2.596 −11.563 1.00 47.55 C ATOM 3199 CG1 VAL A 204 17.031 1.774 −11.395 1.00 51.23 C ATOM 3203 CG2 VAL A 204 14.676 1.721 −11.133 1.00 52.39 C ATOM 3207 C VAL A 204 14.525 4.610 −10.624 1.00 42.03 C ATOM 3208 O VAL A 204 14.075 5.093 −11.639 1.00 46.48 O ATOM 3209 N ARG A 205 13.944 4.739 −9.445 1.00 40.50 N ATOM 3211 CA ARG A 205 12.755 5.532 −9.254 1.00 41.19 C ATOM 3213 CB ARG A 205 11.567 4.685 −9.609 1.00 44.75 C ATOM 3216 CG ARG A 205 10.235 5.385 −9.532 1.00 49.25 C ATOM 3219 CD ARG A 205 9.191 4.670 −10.422 1.00 55.42 C ATOM 3222 NE ARG A 205 7.775 4.754 −10.007 1.00 57.55 N ATOM 3224 CZ ARG A 205 6.805 5.190 −10.797 1.00 56.49 C ATOM 3225 NH1 ARG A 205 7.092 5.604 −12.017 1.00 54.80 N ATOM 3228 NH2 ARG A 205 5.550 5.215 −10.377 1.00 61.53 N ATOM 3231 C ARG A 205 12.674 5.953 −7.799 1.00 38.57 C ATOM 3232 O ARG A 205 13.264 5.307 −7.003 1.00 40.72 O ATOM 3233 N VAL A 206 11.961 7.032 −7.462 1.00 39.00 N ATOM 3235 CA VAL A 206 11.709 7.408 −6.072 1.00 35.25 C ATOM 3237 CB VAL A 206 12.689 8.391 −5.629 1.00 38.80 C ATOM 3239 CG1 VAL A 206 12.331 8.891 −4.228 1.00 40.25 C ATOM 3243 CG2 VAL A 206 14.073 7.800 −5.636 1.00 45.84 C ATOM 3247 C VAL A 206 10.285 8.022 −5.864 1.00 41.79 C ATOM 3248 O VAL A 206 9.881 9.004 −6.540 1.00 41.15 O ATOM 3249 N GLU A 207 9.521 7.462 −4.919 1.00 43.20 N ATOM 3251 CA GLU A 207 8.124 7.883 −4.684 1.00 39.16 C ATOM 3253 CB GLU A 207 7.169 6.726 −4.872 1.00 41.81 C ATOM 3256 CG GLU A 207 6.651 6.501 −6.293 1.00 42.92 C ATOM 3259 CD GLU A 207 5.854 5.214 −6.417 1.00 41.92 C ATOM 3260 OE1 GLU A 207 5.320 4.691 −5.383 1.00 41.67 O ATOM 3261 OE2 GLU A 207 5.772 4.738 −7.560 1.00 41.81 O ATOM 3262 C GLU A 207 7.891 8.349 −3.299 1.00 39.38 C ATOM 3263 O GLU A 207 8.440 7.804 −2.362 1.00 40.98 O ATOM 3264 N ILE A 208 7.056 9.361 −3.150 1.00 42.71 N ATOM 3266 CA ILE A 208 6.682 9.842 −1.819 1.00 40.22 C ATOM 3268 CB ILE A 208 7.109 11.296 −1.692 1.00 40.78 C ATOM 3270 CG1 ILE A 208 8.634 11.379 −1.893 1.00 42.36 C ATOM 3273 CD1 ILE A 208 9.464 11.215 −0.613 1.00 45.04 C ATOM 3277 CG2 ILE A 208 6.718 11.934 −0.350 1.00 42.70 C ATOM 3281 C ILE A 208 5.189 9.584 −1.877 1.00 41.38 C ATOM 3282 O ILE A 208 4.511 10.062 −2.777 1.00 48.60 O ATOM 3283 N ASN A 209 4.672 8.792 −0.955 1.00 43.14 N ATOM 3285 CA ASN A 209 3.297 8.295 −1.071 1.00 45.99 C ATOM 3287 CB ASN A 209 2.273 9.238 −0.482 1.00 45.44 C ATOM 3290 CG ASN A 209 2.294 9.251 1.014 1.00 50.98 C ATOM 3291 OD1 ASN A 209 3.237 8.778 1.628 1.00 61.21 O ATOM 3292 ND2 ASN A 209 1.253 9.813 1.619 1.00 50.57 N ATOM 3295 C ASN A 209 2.848 8.010 −2.487 1.00 46.05 C ATOM 3296 O ASN A 209 1.808 8.469 −2.879 1.00 48.81 O ATOM 3297 N GLY A 210 3.626 7.269 −3.259 1.00 45.99 N ATOM 3299 CA GLY A 210 3.168 6.840 −4.550 1.00 39.71 C ATOM 3302 C GLY A 210 3.521 7.817 −5.634 1.00 44.70 C ATOM 3303 O GLY A 210 3.523 7.484 −6.817 1.00 52.94 O ATOM 3304 N GLN A 211 3.832 9.040 −5.259 1.00 48.14 N ATOM 3306 CA GLN A 211 4.019 10.081 −6.260 1.00 48.41 C ATOM 3308 CB GLN A 211 3.696 11.450 −5.650 1.00 47.90 C ATOM 3311 CG GLN A 211 4.021 12.543 −6.672 1.00 51.74 C ATOM 3314 CD GLN A 211 3.464 13.875 −6.326 1.00 48.04 C ATOM 3315 OE1 GLN A 211 2.904 14.051 −5.243 1.00 55.33 O ATOM 3316 NE2 GLN A 211 3.609 14.829 −7.242 1.00 43.28 N ATOM 3319 C GLN A 211 5.442 10.132 −6.820 1.00 44.36 C ATOM 3320 O GLN A 211 6.328 10.489 −6.090 1.00 40.60 O ATOM 3321 N ASP A 212 5.638 9.788 −8.096 1.00 48.43 N ATOM 3323 CA ASP A 212 6.964 9.822 −8.751 1.00 47.85 C ATOM 3325 CB ASP A 212 6.864 9.644 −10.277 1.00 49.02 C ATOM 3328 CG ASP A 212 8.224 9.660 −10.981 1.00 56.05 C ATOM 3329 OD1 ASP A 212 9.140 10.315 −10.471 1.00 65.69 O ATOM 3330 OD2 ASP A 212 8.493 9.068 −12.061 1.00 58.44 O ATOM 3331 C ASP A 212 7.572 11.160 −8.472 1.00 46.75 C ATOM 3332 O ASP A 212 6.936 12.160 −8.670 1.00 44.58 O ATOM 3333 N LEU A 213 8.809 11.141 −7.994 1.00 49.84 N ATOM 3335 CA LEU A 213 9.594 12.334 −7.729 1.00 49.00 C ATOM 3337 CB LEU A 213 10.787 11.993 −6.864 1.00 42.74 C ATOM 3340 CG LEU A 213 11.249 13.197 −6.091 1.00 38.09 C ATOM 3342 CD1 LEU A 213 10.262 13.552 −5.061 1.00 34.83 C ATOM 3346 CD2 LEU A 213 12.551 12.820 −5.448 1.00 44.89 C ATOM 3350 C LEU A 213 10.102 12.901 −9.036 1.00 51.86 C ATOM 3351 O LEU A 213 10.526 14.046 −9.102 1.00 60.24 O ATOM 3352 N LYS A 214 10.103 12.091 −10.077 1.00 50.59 N ATOM 3354 CA LYS A 214 10.268 12.667 −11.351 1.00 54.70 C ATOM 3356 CB LYS A 214 9.120 13.673 −11.542 1.00 58.84 C ATOM 3359 CG LYS A 214 8.713 13.941 −12.984 1.00 63.68 C ATOM 3362 CD LYS A 214 7.904 12.796 −13.625 1.00 65.33 C ATOM 3365 CE LYS A 214 8.338 12.533 −15.096 1.00 65.28 C ATOM 3368 NZ LYS A 214 7.187 12.419 −16.076 1.00 59.61 N ATOM 3372 C LYS A 214 11.567 13.392 −11.355 1.00 54.17 C ATOM 3373 O LYS A 214 11.617 14.604 −11.251 1.00 59.68 O ATOM 3374 N MET A 215 12.632 12.628 −11.413 1.00 56.61 N ATOM 3376 CA MET A 215 13.932 13.165 −11.741 1.00 57.04 C ATOM 3378 CB MET A 215 14.810 13.356 −10.511 1.00 57.19 C ATOM 3381 CG MET A 215 14.273 14.458 −9.634 1.00 60.76 C ATOM 3384 SD MET A 215 15.283 14.900 −8.238 1.00 63.39 S ATOM 3385 CE MET A 215 16.644 15.670 −9.212 1.00 63.56 C ATOM 3389 C MET A 215 14.534 12.189 −12.723 1.00 55.93 C ATOM 3390 O MET A 215 14.070 11.083 −12.896 1.00 51.96 O ATOM 3391 N ASP A 216 15.562 12.614 −13.410 1.00 58.57 N ATOM 3393 CA ASP A 216 16.199 11.718 −14.331 1.00 62.39 C ATOM 3395 CB ASP A 216 17.142 12.500 −15.225 1.00 64.34 C ATOM 3398 CG ASP A 216 18.371 11.744 −15.547 1.00 62.34 C ATOM 3399 OD1 ASP A 216 18.562 10.659 −14.958 1.00 64.91 O ATOM 3400 OD2 ASP A 216 19.194 12.167 −16.384 1.00 69.70 O ATOM 3401 C ASP A 216 16.917 10.736 −13.424 1.00 63.11 C ATOM 3402 O ASP A 216 17.563 11.142 −12.458 1.00 62.81 O ATOM 3403 N CYS A 217 16.824 9.446 −13.708 1.00 64.18 N ATOM 3405 CA CYS A 217 17.358 8.520 −12.735 1.00 66.46 C ATOM 3407 CB CYS A 217 17.022 7.056 −13.051 1.00 66.11 C ATOM 3410 SG CYS A 217 17.799 6.334 −14.479 1.00 72.28 S ATOM 3411 C CYS A 217 18.822 8.755 −12.482 1.00 65.55 C ATOM 3412 O CYS A 217 19.283 8.527 −11.381 1.00 69.85 O ATOM 3413 N LYS A 218 19.547 9.255 −13.474 1.00 68.81 N ATOM 3415 CA LYS A 218 20.992 9.436 −13.327 1.00 70.13 C ATOM 3417 CB LYS A 218 21.618 10.160 −14.554 1.00 73.78 C ATOM 3420 CG LYS A 218 22.335 9.229 −15.609 1.00 76.00 C ATOM 3423 CD LYS A 218 23.033 9.987 −16.810 1.00 74.40 C ATOM 3426 CE LYS A 218 23.953 9.050 −17.717 1.00 75.92 C ATOM 3429 NZ LYS A 218 23.299 7.995 −18.636 1.00 68.28 N ATOM 3433 C LYS A 218 21.288 10.204 −12.055 1.00 66.58 C ATOM 3434 O LYS A 218 22.340 10.059 −11.456 1.00 68.40 O ATOM 3435 N GLU A 219 20.347 11.014 −11.621 1.00 61.73 N ATOM 3437 CA GLU A 219 20.604 11.871 −10.482 1.00 61.25 C ATOM 3439 CB GLU A 219 19.634 13.041 −10.528 1.00 60.32 C ATOM 3442 CG GLU A 219 19.746 13.887 −11.782 1.00 65.08 C ATOM 3445 CD GLU A 219 20.977 14.781 −11.827 1.00 65.35 C ATOM 3446 OE1 GLU A 219 21.905 14.598 −10.998 1.00 62.03 O ATOM 3447 OE2 GLU A 219 21.001 15.673 −12.717 1.00 68.30 O ATOM 3448 C GLU A 219 20.493 11.211 −9.113 1.00 60.55 C ATOM 3449 O GLU A 219 20.976 11.755 −8.113 1.00 60.04 O ATOM 3450 N TYR A 220 19.848 10.055 −9.051 1.00 58.43 N ATOM 3452 CA TYR A 220 19.599 9.427 −7.771 1.00 54.98 C ATOM 3454 CB TYR A 220 18.533 8.374 −7.903 1.00 56.27 C ATOM 3457 CG TYR A 220 17.175 8.915 −8.250 1.00 51.16 C ATOM 3458 CD1 TYR A 220 16.460 8.385 −9.284 1.00 47.88 C ATOM 3460 CE1 TYR A 220 15.232 8.859 −9.601 1.00 53.59 C ATOM 3462 CZ TYR A 220 14.696 9.898 −8.866 1.00 54.76 C ATOM 3463 OH TYR A 220 13.443 10.384 −9.181 1.00 59.59 O ATOM 3465 CE2 TYR A 220 15.390 10.431 −7.834 1.00 45.89 C ATOM 3467 CD2 TYR A 220 16.619 9.943 −7.529 1.00 48.33 C ATOM 3469 C TYR A 220 20.844 8.778 −7.324 1.00 55.05 C ATOM 3470 O TYR A 220 21.101 8.684 −6.135 1.00 58.11 O ATOM 3471 N ASN A 221 21.616 8.340 −8.310 1.00 56.80 N ATOM 3473 CA ASN A 221 22.886 7.658 −8.110 1.00 56.10 C ATOM 3475 CB ASN A 221 22.874 6.380 −8.928 1.00 51.38 C ATOM 3478 CG ASN A 221 21.838 5.430 −8.435 1.00 54.95 C ATOM 3479 OD1 ASN A 221 21.923 4.970 −7.294 1.00 53.01 O ATOM 3480 ND2 ASN A 221 20.830 5.136 −9.272 1.00 50.76 N ATOM 3483 C ASN A 221 24.068 8.511 −8.521 1.00 59.72 C ATOM 3484 O ASN A 221 25.123 7.989 −8.925 1.00 63.63 O ATOM 3485 N TYR A 222 23.909 9.823 −8.393 1.00 63.40 N ATOM 3487 CA TYR A 222 24.919 10.707 −8.917 1.00 63.06 C ATOM 3489 CB TYR A 222 24.506 12.178 −9.007 1.00 68.66 C ATOM 3492 CG TYR A 222 25.696 13.048 −9.334 1.00 67.88 C ATOM 3493 CD1 TYR A 222 26.577 12.678 −10.333 1.00 72.26 C ATOM 3495 CE1 TYR A 222 27.666 13.446 −10.632 1.00 77.81 C ATOM 3497 CZ TYR A 222 27.889 14.606 −9.925 1.00 79.75 C ATOM 3498 OH TYR A 222 28.992 15.374 −10.239 1.00 83.62 O ATOM 3500 CE2 TYR A 222 27.018 14.993 −8.917 1.00 75.27 C ATOM 3502 CD2 TYR A 222 25.942 14.216 −8.632 1.00 69.85 C ATOM 3504 C TYR A 222 26.139 10.534 −8.091 1.00 61.93 C ATOM 3505 O TYR A 222 26.223 10.993 −6.934 1.00 51.08 O ATOM 3506 N ASP A 223 27.055 9.829 −8.771 1.00 65.98 N ATOM 3508 CA ASP A 223 28.389 9.416 −8.349 1.00 58.22 C ATOM 3510 CB ASP A 223 29.017 10.429 −7.382 1.00 58.25 C ATOM 3513 CG ASP A 223 29.709 9.795 −6.239 1.00 64.15 C ATOM 3514 OD1 ASP A 223 28.983 9.249 −5.377 1.00 75.60 O ATOM 3515 OD2 ASP A 223 30.956 9.791 −6.110 1.00 56.47 O ATOM 3516 C ASP A 223 28.238 7.959 −7.885 1.00 56.27 C ATOM 3517 O ASP A 223 28.790 7.052 −8.514 1.00 48.60 O ATOM 3518 N LYS A 224 27.463 7.710 −6.829 1.00 60.43 N ATOM 3520 CA LYS A 224 27.203 6.317 −6.389 1.00 58.39 C ATOM 3522 CB LYS A 224 28.440 5.692 −5.784 1.00 55.03 C ATOM 3525 CG LYS A 224 28.722 6.175 −4.403 1.00 53.98 C ATOM 3528 CD LYS A 224 30.039 5.591 −3.910 1.00 51.13 C ATOM 3531 CE LYS A 224 30.576 6.430 −2.777 1.00 50.78 C ATOM 3534 NZ LYS A 224 30.830 7.806 −3.279 1.00 52.27 N ATOM 3538 C LYS A 224 26.093 6.132 −5.382 1.00 57.12 C ATOM 3539 O LYS A 224 25.621 7.085 −4.735 1.00 59.55 O ATOM 3540 N SER A 225 25.697 4.870 −5.246 1.00 56.45 N ATOM 3542 CA SER A 225 24.636 4.461 −4.316 1.00 52.86 C ATOM 3544 CB SER A 225 23.338 4.274 −5.076 1.00 50.03 C ATOM 3547 OG SER A 225 22.661 5.516 −5.099 1.00 52.69 O ATOM 3549 C SER A 225 25.040 3.197 −3.570 1.00 48.24 C ATOM 3550 O SER A 225 25.422 2.202 −4.180 1.00 48.80 O ATOM 3551 N ILE A 226 24.969 3.241 −2.244 1.00 44.93 N ATOM 3553 CA ILE A 226 25.441 2.125 −1.454 1.00 37.58 C ATOM 3555 CB ILE A 226 26.875 2.379 −1.017 1.00 39.22 C ATOM 3557 CG1 ILE A 226 26.923 3.507 −0.005 1.00 37.98 C ATOM 3560 CD1 ILE A 226 28.301 3.756 0.555 1.00 34.23 C ATOM 3564 CG2 ILE A 226 27.756 2.690 −2.212 1.00 38.02 C ATOM 3568 C ILE A 226 24.632 1.817 −0.239 1.00 38.95 C ATOM 3569 O ILE A 226 23.774 2.567 0.185 1.00 47.23 O ATOM 3570 N VAL A 227 24.920 0.635 0.310 1.00 40.07 N ATOM 3572 CA VAL A 227 24.282 0.137 1.528 1.00 39.95 C ATOM 3574 CB VAL A 227 23.835 −1.340 1.378 1.00 36.39 C ATOM 3576 CG1 VAL A 227 23.223 −1.863 2.677 1.00 42.20 C ATOM 3580 CG2 VAL A 227 22.852 −1.446 0.279 1.00 32.66 C ATOM 3584 C VAL A 227 25.298 0.175 2.644 1.00 41.52 C ATOM 3585 O VAL A 227 26.400 −0.407 2.485 1.00 31.57 O ATOM 3586 N ASP A 228 24.951 0.813 3.768 1.00 42.83 N ATOM 3588 CA ASP A 228 25.934 0.901 4.892 1.00 44.00 C ATOM 3590 CB ASP A 228 26.926 2.001 4.665 1.00 47.22 C ATOM 3593 CG ASP A 228 27.484 2.542 5.943 1.00 55.34 C ATOM 3594 OD1 ASP A 228 27.322 1.886 6.990 1.00 60.37 O ATOM 3595 OD2 ASP A 228 28.093 3.631 6.003 1.00 65.03 O ATOM 3596 C ASP A 228 25.364 1.037 6.287 1.00 43.99 C ATOM 3597 O ASP A 228 24.829 2.037 6.705 1.00 43.43 O ATOM 3598 N SER A 229 25.535 −0.057 6.977 1.00 45.99 N ATOM 3600 CA SER A 229 25.113 −0.268 8.307 1.00 43.77 C ATOM 3602 CB SER A 229 25.400 −1.715 8.589 1.00 43.80 C ATOM 3605 OG SER A 229 26.786 −1.836 8.462 1.00 43.49 O ATOM 3607 C SER A 229 25.987 0.478 9.228 1.00 39.36 C ATOM 3608 O SER A 229 25.806 0.377 10.394 1.00 35.35 O ATOM 3609 N GLY A 230 26.982 1.181 8.705 1.00 40.62 N ATOM 3611 CA GLY A 230 27.805 2.105 9.509 1.00 37.16 C ATOM 3614 C GLY A 230 27.388 3.543 9.319 1.00 38.50 C ATOM 3615 O GLY A 230 28.040 4.500 9.740 1.00 38.84 O ATOM 3616 N THR A 231 26.265 3.690 8.657 1.00 36.83 N ATOM 3618 CA THR A 231 25.672 4.981 8.477 1.00 36.29 C ATOM 3620 CB THR A 231 25.795 5.339 7.037 1.00 36.20 C ATOM 3622 OG1 THR A 231 27.141 5.728 6.829 1.00 32.63 O ATOM 3624 CG2 THR A 231 24.980 6.570 6.709 1.00 33.65 C ATOM 3628 C THR A 231 24.231 4.977 8.968 1.00 36.96 C ATOM 3629 O THR A 231 23.479 4.036 8.702 1.00 36.51 O ATOM 3630 N THR A 232 23.868 6.048 9.672 1.00 39.63 N ATOM 3632 CA THR A 232 22.586 6.197 10.378 1.00 44.48 C ATOM 3634 CB THR A 232 22.776 7.362 11.370 1.00 47.87 C ATOM 3636 OG1 THR A 232 23.819 7.053 12.305 1.00 58.32 O ATOM 3638 CG2 THR A 232 21.553 7.610 12.240 1.00 52.16 C ATOM 3642 C THR A 232 21.384 6.554 9.507 1.00 46.65 C ATOM 3643 O THR A 232 20.315 5.954 9.593 1.00 48.65 O ATOM 3644 N ASN A 233 21.590 7.547 8.663 1.00 47.89 N ATOM 3646 CA ASN A 233 20.523 8.231 7.983 1.00 47.43 C ATOM 3648 CB ASN A 233 20.878 9.715 7.971 1.00 48.12 C ATOM 3651 CG ASN A 233 20.435 10.435 9.198 1.00 43.02 C ATOM 3652 OD1 ASN A 233 20.365 9.883 10.276 1.00 38.96 O ATOM 3653 ND2 ASN A 233 20.145 11.703 9.035 1.00 50.70 N ATOM 3656 C ASN A 233 20.451 7.803 6.572 1.00 48.67 C ATOM 3657 O ASN A 233 21.360 7.093 6.131 1.00 51.81 O ATOM 3658 N LEU A 234 19.403 8.234 5.856 1.00 45.12 N ATOM 3660 CA LEU A 234 19.333 7.999 4.413 1.00 46.15 C ATOM 3662 CB LEU A 234 17.912 7.787 3.895 1.00 46.39 C ATOM 3665 CG LEU A 234 17.655 7.385 2.424 1.00 46.15 C ATOM 3667 CD1 LEU A 234 16.562 8.293 1.862 1.00 47.55 C ATOM 3671 CD2 LEU A 234 18.868 7.415 1.522 1.00 47.77 C ATOM 3675 C LEU A 234 19.842 9.286 3.867 1.00 45.80 C ATOM 3676 O LEU A 234 19.245 10.301 4.146 1.00 51.40 O ATOM 3677 N ARG A 235 20.940 9.231 3.104 1.00 47.98 N ATOM 3679 CA ARG A 235 21.555 10.393 2.452 1.00 41.53 C ATOM 3681 CB ARG A 235 23.058 10.339 2.514 1.00 40.87 C ATOM 3684 CG ARG A 235 23.653 9.849 3.761 1.00 41.40 C ATOM 3687 CD ARG A 235 23.645 10.825 4.775 1.00 46.10 C ATOM 3690 NE ARG A 235 24.981 11.103 5.305 1.00 52.10 N ATOM 3692 CZ ARG A 235 25.469 12.342 5.380 1.00 54.49 C ATOM 3693 NH1 ARG A 235 26.649 12.577 5.870 1.00 51.49 N ATOM 3696 NH2 ARG A 235 24.751 13.366 4.949 1.00 62.47 N ATOM 3699 C ARG A 235 21.284 10.362 0.984 1.00 42.47 C ATOM 3700 O ARG A 235 21.322 9.234 0.354 1.00 35.71 O ATOM 3701 N LEU A 236 21.054 11.575 0.446 1.00 42.38 N ATOM 3703 CA LEU A 236 20.755 11.710 −0.959 1.00 44.15 C ATOM 3705 CB LEU A 236 19.287 12.033 −1.112 1.00 46.30 C ATOM 3708 CG LEU A 236 18.420 11.070 −0.325 1.00 46.08 C ATOM 3710 CD1 LEU A 236 17.143 11.742 0.192 1.00 50.37 C ATOM 3714 CD2 LEU A 236 18.143 9.851 −1.201 1.00 46.39 C ATOM 3718 C LEU A 236 21.574 12.774 −1.606 1.00 46.18 C ATOM 3719 O LEU A 236 21.974 13.760 −1.003 1.00 56.50 O ATOM 3720 N PRO A 237 21.861 12.556 −2.850 1.00 43.50 N ATOM 3721 CA PRO A 237 22.474 13.586 −3.669 1.00 48.09 C ATOM 3723 CB PRO A 237 22.378 13.003 −5.075 1.00 50.44 C ATOM 3726 CG PRO A 237 22.263 11.517 −4.873 1.00 47.91 C ATOM 3729 CD PRO A 237 21.677 11.287 −3.541 1.00 43.62 C ATOM 3732 C PRO A 237 21.657 14.854 −3.533 1.00 47.59 C ATOM 3733 O PRO A 237 20.443 14.793 −3.621 1.00 56.42 O ATOM 3734 N LYS A 238 22.324 15.977 −3.340 1.00 54.44 N ATOM 3736 CA LYS A 238 21.710 17.262 −2.966 1.00 59.43 C ATOM 3738 CB LYS A 238 22.759 18.345 −3.006 1.00 65.19 C ATOM 3741 CG LYS A 238 22.458 19.459 −2.056 1.00 68.51 C ATOM 3744 CD LYS A 238 21.616 20.524 −2.702 1.00 69.31 C ATOM 3747 CE LYS A 238 21.206 21.491 −1.626 1.00 74.63 C ATOM 3750 NZ LYS A 238 21.148 20.760 −0.296 1.00 72.38 N ATOM 3754 C LYS A 238 20.530 17.740 −3.770 1.00 60.04 C ATOM 3755 O LYS A 238 19.535 18.188 −3.218 1.00 62.70 O ATOM 3756 N LYS A 239 20.645 17.681 −5.078 1.00 61.99 N ATOM 3758 CA LYS A 239 19.502 17.942 −5.889 1.00 62.06 C ATOM 3760 CB LYS A 239 19.803 17.627 −7.373 1.00 65.93 C ATOM 3763 CG LYS A 239 19.794 18.830 −8.411 1.00 69.24 C ATOM 3766 CD LYS A 239 21.071 18.808 −9.350 1.00 71.82 C ATOM 3769 CE LYS A 239 20.782 18.915 −10.877 1.00 73.55 C ATOM 3772 NZ LYS A 239 21.914 18.411 −11.760 1.00 70.78 N ATOM 3776 C LYS A 239 18.444 16.999 −5.285 1.00 64.24 C ATOM 3777 O LYS A 239 17.406 17.455 −4.781 1.00 68.73 O ATOM 3778 N VAL A 240 18.705 15.691 −5.278 1.00 58.91 N ATOM 3780 CA VAL A 240 17.635 14.751 −4.914 1.00 62.19 C ATOM 3782 CB VAL A 240 18.864 13.284 −4.909 1.00 65.97 C ATOM 3784 CG1 VAL A 240 16.867 12.392 −4.847 1.00 66.12 C ATOM 3788 CG2 VAL A 240 18.913 12.947 −6.147 1.00 68.39 C ATOM 3792 C VAL A 240 17.034 15.079 −3.556 1.00 58.68 C ATOM 3793 O VAL A 240 15.811 15.151 −3.379 1.00 54.40 O ATOM 3794 N PHE A 241 17.906 15.282 −2.587 1.00 56.41 N ATOM 3796 CA PHE A 241 17.445 15.677 −1.278 1.00 52.63 C ATOM 3798 CB PHE A 241 18.635 15.966 −0.376 1.00 50.48 C ATOM 3801 CG PHE A 241 18.276 16.566 0.957 1.00 50.54 C ATOM 3802 CD1 PHE A 241 17.615 15.854 1.945 1.00 53.71 C ATOM 3804 CE1 PHE A 241 17.303 16.447 3.181 1.00 54.61 C ATOM 3806 CZ PHE A 241 17.662 17.775 3.427 1.00 55.24 C ATOM 3808 CE2 PHE A 241 18.322 18.488 2.440 1.00 55.17 C ATOM 3810 CD2 PHE A 241 18.624 17.870 1.219 1.00 57.01 C ATOM 3812 C PHE A 241 16.561 16.885 −1.477 1.00 51.84 C ATOM 3813 O PHE A 241 15.439 16.937 −0.971 1.00 47.71 O ATOM 3814 N GLU A 242 17.031 17.857 −2.245 1.00 53.89 N ATOM 3816 CA GLU A 242 16.239 19.085 −2.353 1.00 56.53 C ATOM 3818 CB GLU A 242 16.797 20.110 −3.362 1.00 59.79 C ATOM 3821 CG GLU A 242 17.432 21.353 −2.697 1.00 66.19 C ATOM 3824 CD GLU A 242 17.130 21.454 −1.185 1.00 74.63 C ATOM 3825 OE1 GLU A 242 15.931 21.492 −0.789 1.00 79.35 O ATOM 3826 OE2 GLU A 242 18.091 21.487 −0.372 1.00 76.40 O ATOM 3827 C GLU A 242 14.790 18.768 −2.638 1.00 53.63 C ATOM 3828 O GLU A 242 13.937 19.203 −1.880 1.00 45.24 O ATOM 3829 N ALA A 243 14.536 17.997 −3.709 1.00 52.72 N ATOM 3831 CA ALA A 243 13.180 17.599 −4.140 1.00 50.49 C ATOM 3833 CB ALA A 243 13.258 16.838 −5.428 1.00 51.48 C ATOM 3837 C ALA A 243 12.383 16.781 −3.120 1.00 51.02 C ATOM 3838 O ALA A 243 11.259 17.157 −2.763 1.00 54.64 O ATOM 3839 N ALA A 244 12.949 15.670 −2.653 1.00 46.51 N ATOM 3841 CA ALA A 244 12.262 14.833 −1.670 1.00 41.75 C ATOM 3843 CB ALA A 244 13.173 13.694 −1.156 1.00 37.69 C ATOM 3847 C ALA A 244 11.792 15.630 −0.490 1.00 44.76 C ATOM 3848 O ALA A 244 10.658 15.496 −0.084 1.00 47.71 O ATOM 3849 N VAL A 245 12.646 16.470 0.083 1.00 52.14 N ATOM 3851 CA VAL A 245 12.279 17.094 1.348 1.00 53.69 C ATOM 3853 CB VAL A 245 13.325 18.100 1.854 1.00 53.93 C ATOM 3855 CG1 VAL A 245 12.824 18.785 3.121 1.00 53.73 C ATOM 3859 CG2 VAL A 245 14.659 17.433 2.106 1.00 58.55 C ATOM 3863 C VAL A 245 10.976 17.810 1.141 1.00 52.68 C ATOM 3864 O VAL A 245 10.072 17.775 1.976 1.00 57.49 O ATOM 3865 N LYS A 246 10.904 18.444 −0.015 1.00 49.32 N ATOM 3867 CA LYS A 246 9.816 19.327 −0.367 1.00 54.20 C ATOM 3869 CB LYS A 246 10.200 19.988 −1.684 1.00 58.55 C ATOM 3872 CG LYS A 246 11.763 19.868 −1.943 1.00 63.23 C ATOM 3875 CD LYS A 246 12.640 21.041 −1.337 1.00 70.71 C ATOM 3878 CE LYS A 246 13.228 20.765 0.055 1.00 70.11 C ATOM 3881 NZ LYS A 246 13.337 22.015 0.860 1.00 70.79 N ATOM 3885 C LYS A 246 8.550 18.497 −0.458 1.00 56.50 C ATOM 3886 O LYS A 246 7.635 18.653 0.345 1.00 62.61 O ATOM 3887 N SER A 247 8.510 17.574 −1.417 1.00 53.80 N ATOM 3889 CA SER A 247 7.381 16.674 −1.534 1.00 45.07 C ATOM 3891 CB SER A 247 7.699 15.537 −2.496 1.00 45.02 C ATOM 3894 OG SER A 247 6.636 14.587 −2.462 1.00 43.14 O ATOM 3896 C SER A 247 7.010 16.123 −0.162 1.00 38.07 C ATOM 3897 O SER A 247 5.842 15.925 0.137 1.00 47.02 O ATOM 3898 N ILE A 248 8.008 15.906 0.685 1.00 35.51 N ATOM 3900 CA ILE A 248 7.738 15.379 2.012 1.00 44.04 C ATOM 3902 CB ILE A 248 9.068 14.787 2.672 1.00 45.65 C ATOM 3904 CG1 ILE A 248 9.363 13.394 2.080 1.00 38.16 C ATOM 3907 CD1 ILE A 248 10.760 12.863 2.337 1.00 33.98 C ATOM 3911 CG2 ILE A 248 8.970 14.588 4.187 1.00 46.92 C ATOM 3915 C ILE A 248 6.955 16.401 2.846 1.00 51.15 C ATOM 3916 O ILE A 248 6.052 16.024 3.606 1.00 56.50 O ATOM 3917 N LYS A 249 7.281 17.689 2.671 1.00 53.92 N ATOM 3919 CA LYS A 249 6.627 18.796 3.389 1.00 54.59 C ATOM 3921 CB LYS A 249 7.303 20.147 3.071 1.00 58.74 C ATOM 3924 CG LYS A 249 8.585 20.554 3.850 1.00 58.89 C ATOM 3927 CD LYS A 249 9.099 21.880 3.249 1.00 58.57 C ATOM 3930 CE LYS A 249 10.483 22.330 3.774 1.00 61.39 C ATOM 3933 NZ LYS A 249 11.350 22.849 2.647 1.00 57.83 N ATOM 3937 C LYS A 249 5.177 18.935 2.964 1.00 54.92 C ATOM 3938 O LYS A 249 4.246 18.932 3.790 1.00 54.00 O ATOM 3939 N ALA A 250 5.003 19.083 1.656 1.00 49.70 N ATOM 3941 CA ALA A 250 3.688 19.218 1.060 1.00 52.00 C ATOM 3943 CB ALA A 250 3.786 19.096 −0.465 1.00 53.40 C ATOM 3947 C ALA A 250 2.773 18.163 1.636 1.00 53.09 C ATOM 3948 O ALA A 250 1.602 18.407 1.922 1.00 60.66 O ATOM 3949 N ALA A 251 3.344 16.980 1.805 1.00 57.05 N ATOM 3951 CA ALA A 251 2.639 15.818 2.338 1.00 55.70 C ATOM 3953 CB ALA A 251 3.420 14.558 1.986 1.00 53.52 C ATOM 3957 C ALA A 251 2.404 15.877 3.856 1.00 58.05 C ATOM 3958 O ALA A 251 1.461 15.323 4.372 1.00 62.89 O ATOM 3959 N SER A 252 3.281 16.529 4.590 1.00 59.77 N ATOM 3961 CA SER A 252 3.147 16.572 6.034 1.00 56.96 C ATOM 3963 CB SER A 252 4.562 16.585 6.606 1.00 59.16 C ATOM 3966 OG SER A 252 5.524 16.922 5.592 1.00 58.00 O ATOM 3968 C SER A 252 2.413 17.837 6.419 1.00 56.47 C ATOM 3969 O SER A 252 2.110 18.098 7.575 1.00 51.08 O ATOM 3970 N SER A 253 2.089 18.610 5.401 1.00 59.91 N ATOM 3972 CA SER A 253 1.690 20.003 5.568 1.00 59.18 C ATOM 3974 CB SER A 253 1.581 20.643 4.173 1.00 57.63 C ATOM 3977 OG SER A 253 1.316 22.026 4.257 1.00 55.74 O ATOM 3979 C SER A 253 0.484 20.373 6.441 1.00 60.11 C ATOM 3980 O SER A 253 0.075 21.526 6.428 1.00 59.14 O ATOM 3981 N THR A 254 −0.099 19.451 7.200 1.00 60.35 N ATOM 3983 CA THR A 254 −1.147 19.897 8.117 1.00 60.80 C ATOM 3985 CB THR A 254 −2.318 18.951 8.293 1.00 60.71 C ATOM 3987 OG1 THR A 254 −1.905 17.797 9.043 1.00 56.78 O ATOM 3989 CG2 THR A 254 −2.858 18.465 6.955 1.00 60.72 C ATOM 3993 C THR A 254 −0.473 20.059 9.435 1.00 64.58 C ATOM 3994 O THR A 254 −1.121 20.164 10.478 1.00 68.02 O ATOM 3995 N GLU A 255 0.848 20.043 9.385 1.00 66.30 N ATOM 3997 CA GLU A 255 1.626 20.400 10.537 1.00 69.56 C ATOM 3999 CB GLU A 255 1.998 19.192 11.398 1.00 70.30 C ATOM 4002 CG GLU A 255 0.804 18.717 12.245 1.00 70.88 C ATOM 4005 CD GLU A 255 1.164 18.170 13.624 1.00 72.29 C ATOM 4006 OE1 GLU A 255 2.307 18.397 14.115 1.00 79.50 O ATOM 4007 OE2 GLU A 255 0.285 17.519 14.229 1.00 62.93 O ATOM 4008 C GLU A 255 2.810 21.164 10.000 1.00 72.57 C ATOM 4009 O GLU A 255 3.248 20.966 8.852 1.00 74.27 O ATOM 4010 N LYS A 256 3.298 22.083 10.818 1.00 72.10 N ATOM 4012 CA LYS A 256 4.408 22.901 10.411 1.00 68.65 C ATOM 4014 CB LYS A 256 4.017 24.356 10.254 1.00 69.61 C ATOM 4017 CG LYS A 256 3.138 24.580 9.037 1.00 76.54 C ATOM 4020 CD LYS A 256 3.813 24.086 7.737 1.00 79.94 C ATOM 4023 CE LYS A 256 3.261 24.791 6.471 1.00 79.27 C ATOM 4026 NZ LYS A 256 2.321 23.945 5.676 1.00 79.72 N ATOM 4030 C LYS A 256 5.429 22.704 11.462 1.00 64.96 C ATOM 4031 O LYS A 256 5.097 22.569 12.658 1.00 51.53 O ATOM 4032 N PHE A 257 6.664 22.674 10.972 1.00 61.73 N ATOM 4034 CA PHE A 257 7.826 22.397 11.762 1.00 60.99 C ATOM 4036 CB PHE A 257 8.370 21.026 11.354 1.00 65.88 C ATOM 4039 CG PHE A 257 7.338 19.922 11.397 1.00 67.36 C ATOM 4040 CD1 PHE A 257 6.875 19.347 10.232 1.00 71.73 C ATOM 4042 CE1 PHE A 257 5.931 18.341 10.278 1.00 72.34 C ATOM 4044 CZ PHE A 257 5.447 17.903 11.503 1.00 71.58 C ATOM 4046 CE2 PHE A 257 5.910 18.476 12.667 1.00 68.20 C ATOM 4048 CD2 PHE A 257 6.840 19.469 12.611 1.00 66.34 C ATOM 4050 C PHE A 257 8.811 23.466 11.392 1.00 59.35 C ATOM 4051 O PHE A 257 8.716 24.049 10.333 1.00 58.22 O ATOM 4052 N PRO A 258 9.766 23.724 12.257 1.00 61.91 N ATOM 4053 CA PRO A 258 10.792 24.731 11.983 1.00 65.38 C ATOM 4055 CB PRO A 258 11.351 25.053 13.358 1.00 66.17 C ATOM 4058 CG PRO A 258 10.803 23.979 14.309 1.00 64.85 C ATOM 4061 CD PRO A 258 9.949 23.054 13.546 1.00 61.29 C ATOM 4064 C PRO A 258 11.875 24.094 11.144 1.00 69.63 C ATOM 4065 O PRO A 258 12.156 22.912 11.335 1.00 67.19 O ATOM 4066 N ASP A 259 12.485 24.858 10.248 1.00 74.52 N ATOM 4068 CA ASP A 259 13.450 24.293 9.308 1.00 76.21 C ATOM 4070 CB ASP A 259 14.038 25.411 8.459 1.00 78.78 C ATOM 4073 CG ASP A 259 12.952 26.362 7.934 1.00 85.56 C ATOM 4074 OD1 ASP A 259 12.355 26.110 6.853 1.00 85.56 O ATOM 4075 OD2 ASP A 259 12.604 27.384 8.566 1.00 94.62 O ATOM 4076 C ASP A 259 14.514 23.433 10.009 1.00 75.34 C ATOM 4077 O ASP A 259 14.811 22.315 9.560 1.00 77.54 O ATOM 4078 N GLY A 260 15.056 23.927 11.119 1.00 68.42 N ATOM 4080 CA GLY A 260 16.038 23.173 11.867 1.00 65.64 C ATOM 4083 C GLY A 260 15.782 21.681 11.757 1.00 64.85 C ATOM 4084 O GLY A 260 16.705 20.864 11.545 1.00 65.50 O ATOM 4085 N PHE A 261 14.512 21.331 11.912 1.00 62.03 N ATOM 4087 CA PHE A 261 14.039 19.953 11.778 1.00 60.14 C ATOM 4089 CB PHE A 261 12.545 19.893 12.146 1.00 59.84 C ATOM 4092 CG PHE A 261 11.901 18.542 11.976 1.00 53.88 C ATOM 4093 CD1 PHE A 261 12.040 17.584 12.931 1.00 50.78 C ATOM 4095 CE1 PHE A 261 11.450 16.369 12.790 1.00 51.53 C ATOM 4097 CZ PHE A 261 10.699 16.096 11.676 1.00 55.50 C ATOM 4099 CE2 PHE A 261 10.542 17.043 10.705 1.00 51.48 C ATOM 4101 CD2 PHE A 261 11.140 18.260 10.859 1.00 55.00 C ATOM 4103 C PHE A 261 14.271 19.432 10.364 1.00 60.30 C ATOM 4104 O PHE A 261 14.921 18.396 10.165 1.00 62.84 O ATOM 4105 N TRP A 262 13.778 20.132 9.363 1.00 52.97 N ATOM 4107 CA TRP A 262 13.930 19.551 8.071 1.00 54.85 C ATOM 4109 CB TRP A 262 13.154 20.339 7.017 1.00 56.23 C ATOM 4112 CG TRP A 262 11.652 20.135 7.269 1.00 61.23 C ATOM 4113 CD1 TRP A 262 10.780 21.050 7.761 1.00 66.49 C ATOM 4115 NE1 TRP A 262 9.525 20.510 7.874 1.00 68.50 N ATOM 4117 CE2 TRP A 262 9.565 19.213 7.447 1.00 67.88 C ATOM 4118 CD2 TRP A 262 10.889 18.941 7.064 1.00 61.30 C ATOM 4119 CE3 TRP A 262 11.188 17.669 6.586 1.00 64.17 C ATOM 4121 CZ3 TRP A 262 10.177 16.728 6.510 1.00 63.85 C ATOM 4123 CH2 TRP A 262 8.879 17.034 6.896 1.00 66.57 C ATOM 4125 CZ2 TRP A 262 8.547 18.266 7.365 1.00 66.36 C ATOM 4127 C TRP A 262 15.391 19.391 7.785 1.00 53.56 C ATOM 4128 O TRP A 262 15.769 18.849 6.757 1.00 56.81 O ATOM 4129 N LEU A 263 16.220 19.839 8.725 1.00 58.44 N ATOM 4131 CA LEU A 263 17.677 19.898 8.531 1.00 58.98 C ATOM 4133 CB LEU A 263 18.170 21.276 8.866 1.00 57.08 C ATOM 4136 CG LEU A 263 18.031 22.222 7.709 1.00 59.71 C ATOM 4138 CD1 LEU A 263 18.483 23.577 8.206 1.00 59.96 C ATOM 4142 CD2 LEU A 263 18.875 21.732 6.527 1.00 60.81 C ATOM 4146 C LEU A 263 18.468 18.983 9.398 1.00 62.54 C ATOM 4147 O LEU A 263 19.686 19.128 9.526 1.00 61.58 O ATOM 4148 N GLY A 264 17.778 18.046 10.012 1.00 67.37 N ATOM 4150 CA GLY A 264 18.436 17.118 10.893 1.00 70.18 C ATOM 4153 C GLY A 264 18.788 17.817 12.179 1.00 72.26 C ATOM 4154 O GLY A 264 18.910 17.143 13.194 1.00 76.04 O ATOM 4155 N GLU A 265 18.927 19.149 12.149 1.00 71.01 N ATOM 4157 CA GLU A 265 19.437 19.880 13.311 1.00 71.40 C ATOM 4159 CB GLU A 265 19.648 21.383 13.034 1.00 71.95 C ATOM 4162 CG GLU A 265 20.982 21.698 12.353 1.00 74.37 C ATOM 4165 CD GLU A 265 20.958 22.955 11.471 1.00 74.89 C ATOM 4166 OE1 GLU A 265 21.757 23.022 10.500 1.00 63.91 O ATOM 4167 OE2 GLU A 265 20.142 23.876 11.745 1.00 80.45 O ATOM 4168 C GLU A 265 18.592 19.716 14.547 1.00 70.60 C ATOM 4169 O GLU A 265 19.099 19.216 15.542 1.00 72.28 O ATOM 4170 N GLN A 266 17.322 20.118 14.516 1.00 68.36 N ATOM 4172 CA GLN A 266 16.574 20.094 15.769 1.00 68.13 C ATOM 4174 CB GLN A 266 16.036 21.431 16.254 1.00 71.81 C ATOM 4177 CG GLN A 266 15.288 22.275 15.282 1.00 73.46 C ATOM 4180 CD GLN A 266 15.211 23.702 15.831 1.00 80.14 C ATOM 4181 OE1 GLN A 266 16.098 24.530 15.578 1.00 78.16 O ATOM 4182 NE2 GLN A 266 14.163 23.982 16.604 1.00 81.99 N ATOM 4185 C GLN A 266 15.495 19.132 15.770 1.00 65.19 C ATOM 4186 O GLN A 266 14.952 18.739 14.761 1.00 68.32 O ATOM 4187 N LEU A 267 15.179 18.751 16.973 1.00 62.13 N ATOM 4189 CA LEU A 267 14.400 17.604 17.135 1.00 60.81 C ATOM 4191 CB LEU A 267 14.990 16.849 18.335 1.00 60.23 C ATOM 4194 CG LEU A 267 14.662 17.271 19.724 1.00 56.50 C ATOM 4196 CD1 LEU A 267 13.130 17.340 19.756 1.00 54.80 C ATOM 4200 CD2 LEU A 267 15.234 16.210 20.656 1.00 52.66 C ATOM 4204 C LEU A 267 12.988 18.098 17.205 1.00 60.54 C ATOM 4205 O LEU A 267 12.771 19.279 17.110 1.00 67.47 O ATOM 4206 N VAL A 268 12.013 17.214 17.315 1.00 67.35 N ATOM 4208 CA VAL A 268 10.617 17.635 17.398 1.00 64.13 C ATOM 4210 CB VAL A 268 9.915 17.517 16.071 1.00 64.12 C ATOM 4212 CG1 VAL A 268 8.431 17.553 16.280 1.00 64.85 C ATOM 4216 CG2 VAL A 268 10.332 18.629 15.148 1.00 68.52 C ATOM 4220 C VAL A 268 9.895 16.719 18.348 1.00 65.02 C ATOM 4221 O VAL A 268 10.339 15.595 18.595 1.00 67.72 O ATOM 4222 N CYS A 269 8.774 17.185 18.876 1.00 64.09 N ATOM 4224 CA CYS A 269 8.045 16.373 19.822 1.00 64.62 C ATOM 4226 CB CYS A 269 8.506 16.794 21.203 1.00 66.31 C ATOM 4229 SG CYS A 269 10.286 17.212 21.240 1.00 69.02 S ATOM 4230 C CYS A 269 6.523 16.452 19.735 1.00 64.55 C ATOM 4231 O CYS A 269 5.943 17.350 19.089 1.00 67.95 O ATOM 4232 N TRP A 270 5.899 15.479 20.395 1.00 61.04 N ATOM 4234 CA TRP A 270 4.444 15.334 20.512 1.00 61.84 C ATOM 4236 CB TRP A 270 3.764 14.554 19.371 1.00 56.93 C ATOM 4239 CG TRP A 270 3.867 15.143 17.967 1.00 58.64 C ATOM 4240 CD1 TRP A 270 3.041 16.067 17.388 1.00 59.48 C ATOM 4242 NE1 TRP A 270 3.452 16.344 16.105 1.00 54.79 N ATOM 4244 CE2 TRP A 270 4.562 15.588 15.825 1.00 57.15 C ATOM 4245 CD2 TRP A 270 4.848 14.816 16.971 1.00 56.20 C ATOM 4246 CE3 TRP A 270 5.948 13.956 16.939 1.00 49.93 C ATOM 4248 CZ3 TRP A 270 6.708 13.889 15.796 1.00 55.27 C ATOM 4250 CH2 TRP A 270 6.395 14.667 14.667 1.00 58.79 C ATOM 4252 CZ2 TRP A 270 5.331 15.517 14.662 1.00 55.58 C ATOM 4254 C TRP A 270 4.288 14.549 21.813 1.00 64.90 C ATOM 4255 O TRP A 270 5.212 13.830 22.231 1.00 64.95 O ATOM 4256 N GLN A 271 3.112 14.664 22.427 1.00 64.50 N ATOM 4258 CA GLN A 271 2.891 14.202 23.791 1.00 59.95 C ATOM 4260 CB GLN A 271 1.547 14.688 24.328 1.00 58.83 C ATOM 4263 CG GLN A 271 1.117 16.045 23.773 1.00 65.33 C ATOM 4266 CD GLN A 271 1.086 16.093 22.229 1.00 63.95 C ATOM 4267 OE1 GLN A 271 0.909 15.057 21.559 1.00 70.15 O ATOM 4268 NE2 GLN A 271 1.256 17.287 21.674 1.00 54.26 N ATOM 4271 C GLN A 271 2.931 12.731 23.697 1.00 56.78 C ATOM 4272 O GLN A 271 2.634 12.186 22.647 1.00 57.25 O ATOM 4273 N ALA A 272 3.274 12.068 24.774 1.00 55.14 N ATOM 4275 CA ALA A 272 3.457 10.637 24.671 1.00 58.98 C ATOM 4277 CB ALA A 272 3.430 9.985 26.025 1.00 59.97 C ATOM 4281 C ALA A 272 2.422 10.009 23.754 1.00 59.71 C ATOM 4282 O ALA A 272 1.365 10.587 23.482 1.00 57.10 O ATOM 4283 N GLY A 273 2.782 8.821 23.271 1.00 62.02 N ATOM 4285 CA GLY A 273 1.952 7.965 22.431 1.00 59.67 C ATOM 4288 C GLY A 273 0.981 8.622 21.490 1.00 58.98 C ATOM 4289 O GLY A 273 0.009 7.967 21.115 1.00 61.66 O ATOM 4290 N THR A 274 1.243 9.878 21.113 1.00 57.29 N ATOM 4292 CA THR A 274 0.351 10.661 20.258 1.00 57.22 C ATOM 4294 CB THR A 274 −0.108 11.911 21.023 1.00 63.52 C ATOM 4296 OG1 THR A 274 1.035 12.634 21.513 1.00 63.82 O ATOM 4298 CG2 THR A 274 −0.897 11.537 22.291 1.00 65.12 C ATOM 4302 C THR A 274 0.994 11.128 18.943 1.00 54.80 C ATOM 4303 O THR A 274 0.493 12.032 18.256 1.00 49.79 O ATOM 4304 N THR A 275 2.104 10.534 18.560 1.00 50.99 N ATOM 4306 CA THR A 275 2.712 11.010 17.345 1.00 50.86 C ATOM 4308 CB THR A 275 4.033 10.303 17.107 1.00 53.40 C ATOM 4310 OG1 THR A 275 4.793 10.248 18.331 1.00 53.69 O ATOM 4312 CG2 THR A 275 4.901 11.074 16.111 1.00 48.79 C ATOM 4316 C THR A 275 1.736 10.679 16.226 1.00 52.73 C ATOM 4317 O THR A 275 1.230 9.560 16.129 1.00 55.77 O ATOM 4318 N PRO A 276 1.456 11.656 15.399 1.00 48.39 N ATOM 4319 CA PRO A 276 0.602 11.493 14.226 1.00 50.13 C ATOM 4321 CB PRO A 276 0.223 12.950 13.952 1.00 50.02 C ATOM 4324 CG PRO A 276 1.513 13.620 14.213 1.00 50.60 C ATOM 4327 CD PRO A 276 1.877 13.055 15.554 1.00 53.12 C ATOM 4330 C PRO A 276 1.265 10.862 12.974 1.00 42.85 C ATOM 4331 O PRO A 276 1.501 11.537 11.980 1.00 39.08 O ATOM 4332 N TRP A 277 1.527 9.567 12.997 1.00 46.18 N ATOM 4334 CA TRP A 277 2.246 8.919 11.879 1.00 46.30 C ATOM 4336 CB TRP A 277 2.339 7.449 12.146 1.00 41.35 C ATOM 4339 CG TRP A 277 3.154 7.098 13.355 1.00 41.81 C ATOM 4340 CD1 TRP A 277 2.696 6.545 14.489 1.00 45.45 C ATOM 4342 NE1 TRP A 277 3.726 6.346 15.376 1.00 46.12 N ATOM 4344 CE2 TRP A 277 4.886 6.784 14.809 1.00 40.67 C ATOM 4345 CD2 TRP A 277 4.565 7.263 13.538 1.00 42.28 C ATOM 4346 CE3 TRP A 277 5.596 7.775 12.752 1.00 45.83 C ATOM 4348 CZ3 TRP A 277 6.872 7.785 13.257 1.00 41.25 C ATOM 4350 CH2 TRP A 277 7.153 7.296 14.526 1.00 37.21 C ATOM 4352 CZ2 TRP A 277 6.185 6.798 15.316 1.00 40.09 C ATOM 4354 C TRP A 277 1.603 9.129 10.492 1.00 51.02 C ATOM 4355 O TRP A 277 2.252 9.510 9.497 1.00 55.36 O ATOM 4356 N ASN A 278 0.311 8.883 10.450 1.00 51.19 N ATOM 4358 CA ASN A 278 −0.467 9.067 9.265 1.00 46.14 C ATOM 4360 CB ASN A 278 −1.925 8.947 9.660 1.00 51.01 C ATOM 4363 CG ASN A 278 −2.446 10.207 10.318 1.00 53.16 C ATOM 4364 OD1 ASN A 278 −2.406 11.277 9.728 1.00 56.07 O ATOM 4365 ND2 ASN A 278 −2.929 10.084 11.540 1.00 43.67 N ATOM 4368 C ASN A 278 −0.250 10.367 8.505 1.00 47.14 C ATOM 4369 O ASN A 278 −0.443 10.409 7.281 1.00 55.65 O ATOM 4370 N ILE A 279 0.154 11.459 9.136 1.00 45.86 N ATOM 4372 CA ILE A 279 0.262 12.647 8.283 1.00 40.58 C ATOM 4374 CB ILE A 279 0.201 13.912 9.019 1.00 41.95 C ATOM 4376 CG1 ILE A 279 1.508 14.087 9.747 1.00 44.28 C ATOM 4379 CD1 ILE A 279 1.810 15.503 10.041 1.00 48.63 C ATOM 4383 CG2 ILE A 279 −1.078 13.936 9.940 1.00 40.98 C ATOM 4387 C ILE A 279 1.502 12.647 7.511 1.00 41.25 C ATOM 4388 O ILE A 279 1.571 13.405 6.527 1.00 41.55 O ATOM 4389 N PHE A 280 2.494 11.830 7.932 1.00 42.95 N ATOM 4391 CA PHE A 280 3.734 11.696 7.155 1.00 43.36 C ATOM 4393 CB PHE A 280 4.914 11.371 8.031 1.00 47.33 C ATOM 4396 CG PHE A 280 5.285 12.438 9.006 1.00 48.46 C ATOM 4397 CD1 PHE A 280 6.155 13.457 8.641 1.00 52.35 C ATOM 4399 CE1 PHE A 280 6.512 14.437 9.555 1.00 55.06 C ATOM 4401 CZ PHE A 280 5.997 14.385 10.859 1.00 53.18 C ATOM 4403 CE2 PHE A 280 5.131 13.352 11.213 1.00 48.87 C ATOM 4405 CD2 PHE A 280 4.791 12.401 10.296 1.00 47.29 C ATOM 4407 C PHE A 280 3.596 10.572 6.116 1.00 43.82 C ATOM 4408 O PHE A 280 2.937 9.572 6.344 1.00 46.62 O ATOM 4409 N PRO A 281 4.236 10.726 4.978 1.00 41.27 N ATOM 4410 CA PRO A 281 4.127 9.768 3.874 1.00 35.61 C ATOM 4412 CB PRO A 281 4.376 10.655 2.660 1.00 36.29 C ATOM 4415 CG PRO A 281 5.171 11.767 3.144 1.00 35.91 C ATOM 4418 CD PRO A 281 5.116 11.847 4.657 1.00 37.67 C ATOM 4421 C PRO A 281 5.217 8.679 3.868 1.00 39.20 C ATOM 4422 O PRO A 281 6.162 8.792 4.650 1.00 35.73 O ATOM 4423 N VAL A 282 5.072 7.679 2.981 1.00 36.56 N ATOM 4425 CA VAL A 282 5.987 6.562 2.819 1.00 35.89 C ATOM 4427 CB VAL A 282 5.215 5.282 2.365 1.00 39.74 C ATOM 4429 CG1 VAL A 282 4.205 4.818 3.377 1.00 36.87 C ATOM 4433 CG2 VAL A 282 4.500 5.499 1.028 1.00 45.22 C ATOM 4437 C VAL A 282 7.030 6.872 1.714 1.00 40.69 C ATOM 4438 O VAL A 282 6.797 7.738 0.873 1.00 36.67 O ATOM 4439 N ILE A 283 8.156 6.136 1.705 1.00 37.84 N ATOM 4441 CA ILE A 283 9.241 6.356 0.712 1.00 38.96 C ATOM 4443 CB ILE A 283 10.411 7.053 1.374 1.00 38.64 C ATOM 4445 CG1 ILE A 283 9.963 8.318 2.070 1.00 44.14 C ATOM 4448 CD1 ILE A 283 11.109 9.046 2.658 1.00 48.84 C ATOM 4452 CG2 ILE A 283 11.481 7.314 0.311 1.00 29.11 C ATOM 4456 C ILE A 283 9.899 5.255 −0.053 1.00 41.40 C ATOM 4457 O ILE A 283 10.851 4.668 0.441 1.00 62.61 O ATOM 4458 N SER A 284 9.483 5.062 −1.293 1.00 44.38 N ATOM 4460 CA SER A 284 9.856 3.861 −2.002 1.00 41.93 C ATOM 4462 CB SER A 284 8.683 3.407 −2.819 1.00 42.78 C ATOM 4465 OG SER A 284 7.555 3.197 −1.991 1.00 44.75 O ATOM 4467 C SER A 284 11.040 4.075 −2.897 1.00 44.34 C ATOM 4468 O SER A 284 11.022 4.922 −3.788 1.00 46.55 O ATOM 4469 N LEU A 285 12.090 3.315 −2.656 1.00 41.54 N ATOM 4471 CA LEU A 285 13.223 3.384 −3.521 1.00 37.02 C ATOM 4473 CB LEU A 285 14.491 3.276 −2.717 1.00 35.95 C ATOM 4476 CG LEU A 285 14.805 4.402 −1.704 1.00 38.01 C ATOM 4478 CD1 LEU A 285 16.196 4.144 −1.122 1.00 33.26 C ATOM 4482 CD2 LEU A 285 14.762 5.845 −2.251 1.00 33.22 C ATOM 4486 C LEU A 285 13.043 2.195 −4.451 1.00 38.43 C ATOM 4487 O LEU A 285 12.880 1.086 −3.978 1.00 43.06 O ATOM 4488 N TYR A 286 13.017 2.399 −5.759 1.00 32.94 N ATOM 4490 CA TYR A 286 12.855 1.262 −6.641 1.00 39.45 C ATOM 4492 CB TYR A 286 12.115 1.611 −7.910 1.00 40.17 C ATOM 4495 CG TYR A 286 10.614 1.743 −7.827 1.00 37.69 C ATOM 4496 CD1 TYR A 286 10.025 2.618 −6.958 1.00 35.61 C ATOM 4498 CE1 TYR A 286 8.690 2.751 −6.894 1.00 39.01 C ATOM 4500 CZ TYR A 286 7.894 1.996 −7.713 1.00 40.22 C ATOM 4501 OH TYR A 286 6.518 2.137 −7.632 1.00 32.05 O ATOM 4503 CE2 TYR A 286 8.476 1.130 −8.584 1.00 39.77 C ATOM 4505 CD2 TYR A 286 9.821 1.023 −8.648 1.00 35.63 C ATOM 4507 C TYR A 286 14.207 0.832 −7.119 1.00 36.96 C ATOM 4508 O TYR A 286 14.990 1.654 −7.483 1.00 41.56 O ATOM 4509 N LEU A 287 14.465 −0.461 −7.177 1.00 37.56 N ATOM 4511 CA LEU A 287 15.786 −0.941 −7.545 1.00 36.13 C ATOM 4513 CB LEU A 287 16.385 −1.695 −6.391 1.00 37.50 C ATOM 4516 CG LEU A 287 16.513 −1.001 −5.061 1.00 40.67 C ATOM 4518 CD1 LEU A 287 16.957 −2.079 −4.008 1.00 42.47 C ATOM 4522 CD2 LEU A 287 17.507 0.090 −5.144 1.00 37.99 C ATOM 4526 C LEU A 287 15.760 −1.869 −8.700 1.00 32.81 C ATOM 4527 O LEU A 287 14.789 −2.561 −8.889 1.00 42.24 O ATOM 4528 N MET A 288 16.849 −1.897 −9.447 1.00 37.48 N ATOM 4530 CA MET A 288 17.040 −2.777 −10.632 1.00 43.22 C ATOM 4532 CB MET A 288 18.349 −2.356 −11.349 1.00 49.18 C ATOM 4535 CG MET A 288 19.046 −3.419 −12.208 1.00 53.21 C ATOM 4538 SD MET A 288 20.373 −2.706 −13.301 1.00 68.95 S ATOM 4539 CE MET A 288 19.993 −0.904 −13.311 1.00 59.14 C ATOM 4543 C MET A 288 17.104 −4.269 −10.276 1.00 42.94 C ATOM 4544 O MET A 288 17.771 −4.671 −9.328 1.00 46.50 O ATOM 4545 N GLY A 289 16.446 −5.098 −11.055 1.00 40.57 N ATOM 4547 CA GLY A 289 16.290 −6.485 −10.682 1.00 43.24 C ATOM 4550 C GLY A 289 17.409 −7.294 −11.225 1.00 48.62 C ATOM 4551 O GLY A 289 18.320 −6.726 −11.761 1.00 57.55 O ATOM 4552 N GLU A 290 17.366 −8.607 −11.061 1.00 54.59 N ATOM 4554 CA GLU A 290 18.352 −9.464 −11.692 1.00 60.08 C ATOM 4556 CB GLU A 290 18.531 −10.762 −10.927 1.00 61.43 C ATOM 4559 CG GLU A 290 19.091 −10.548 −9.538 1.00 61.36 C ATOM 4562 CD GLU A 290 19.931 −11.718 −9.077 1.00 61.64 C ATOM 4563 OE1 GLU A 290 19.365 −12.576 −8.331 1.00 47.44 O ATOM 4564 OE2 GLU A 290 21.142 −11.741 −9.471 1.00 55.78 O ATOM 4565 C GLU A 290 17.928 −9.808 −13.091 1.00 63.07 C ATOM 4566 O GLU A 290 18.755 −10.232 −13.887 1.00 67.93 O ATOM 4567 N VAL A 291 16.643 −9.655 −13.398 1.00 65.43 N ATOM 4569 CA VAL A 291 16.189 −9.910 −14.769 1.00 66.54 C ATOM 4571 CB VAL A 291 14.926 −10.790 −14.824 1.00 64.54 C ATOM 4573 CG1 VAL A 291 14.666 −11.196 −16.218 1.00 66.22 C ATOM 4577 CG2 VAL A 291 15.116 −12.044 −14.013 1.00 66.62 C ATOM 4581 C VAL A 291 16.027 −8.615 −15.607 1.00 64.98 C ATOM 4582 O VAL A 291 15.564 −7.590 −15.135 1.00 67.86 O ATOM 4583 N THR A 292 16.432 −8.687 −16.862 1.00 64.83 N ATOM 4585 CA THR A 292 16.387 −7.554 −17.776 1.00 67.55 C ATOM 4587 CB THR A 292 16.783 −8.068 −19.139 1.00 69.56 C ATOM 4589 OG1 THR A 292 17.890 −8.965 −18.992 1.00 74.68 O ATOM 4591 CG2 THR A 292 17.325 −6.980 −19.982 1.00 70.93 C ATOM 4595 C THR A 292 15.015 −6.878 −17.870 1.00 67.32 C ATOM 4596 O THR A 292 14.002 −7.532 −18.098 1.00 64.26 O ATOM 4597 N GLN A 293 14.989 −5.562 −17.705 1.00 65.20 N ATOM 4599 CA GLN A 293 13.735 −4.852 −17.700 1.00 65.67 C ATOM 4601 CB GLN A 293 12.749 −5.543 −18.648 1.00 68.34 C ATOM 4604 CG GLN A 293 12.971 −5.013 −19.979 1.00 69.90 C ATOM 4607 CD GLN A 293 13.563 −3.662 −19.780 1.00 73.82 C ATOM 4608 OE1 GLN A 293 14.704 −3.406 −20.178 1.00 76.41 O ATOM 4609 NE2 GLN A 293 12.804 −2.784 −19.105 1.00 70.84 N ATOM 4612 C GLN A 293 13.057 −4.736 −16.364 1.00 63.03 C ATOM 4613 O GLN A 293 12.284 −3.803 −16.127 1.00 67.21 O ATOM 4614 N GLN A 294 13.367 −5.661 −15.484 1.00 57.71 N ATOM 4616 CA GLN A 294 12.562 −5.859 −14.307 1.00 56.14 C ATOM 4618 CB GLN A 294 12.735 −7.332 −13.870 1.00 56.19 C ATOM 4621 CG GLN A 294 11.579 −7.951 −13.090 1.00 56.15 C ATOM 4624 CD GLN A 294 11.247 −9.407 −13.475 1.00 55.02 C ATOM 4625 OE1 GLN A 294 10.962 −10.255 −12.596 1.00 46.01 O ATOM 4626 NE2 GLN A 294 11.271 −9.693 −14.777 1.00 49.71 N ATOM 4629 C GLN A 294 13.045 −4.905 −13.257 1.00 51.59 C ATOM 4630 O GLN A 294 14.132 −4.397 −13.369 1.00 50.97 O ATOM 4631 N SER A 295 12.229 −4.625 −12.260 1.00 47.06 N ATOM 4633 CA SER A 295 12.740 −3.950 −11.063 1.00 48.50 C ATOM 4635 CB SER A 295 12.882 −2.483 −11.321 1.00 42.42 C ATOM 4638 OG SER A 295 11.655 −2.067 −11.834 1.00 48.16 O ATOM 4640 C SER A 295 11.773 −4.171 −9.895 1.00 46.17 C ATOM 4641 O SER A 295 10.676 −4.726 −10.059 1.00 48.16 O ATOM 4642 N PHE A 296 12.146 −3.729 −8.721 1.00 37.72 N ATOM 4644 CA PHE A 296 11.236 −3.922 −7.615 1.00 39.89 C ATOM 4646 CB PHE A 296 11.533 −5.236 −6.978 1.00 39.36 C ATOM 4649 CG PHE A 296 12.886 −5.286 −6.295 1.00 32.98 C ATOM 4650 CD1 PHE A 296 13.035 −4.863 −5.018 1.00 37.10 C ATOM 4652 CE1 PHE A 296 14.225 −4.924 −4.406 1.00 36.18 C ATOM 4654 CZ PHE A 296 15.301 −5.395 −5.076 1.00 38.32 C ATOM 4656 CE2 PHE A 296 15.172 −5.807 −6.332 1.00 36.15 C ATOM 4658 CD2 PHE A 296 13.969 −5.760 −6.939 1.00 29.00 C ATOM 4660 C PHE A 296 11.426 −2.840 −6.592 1.00 39.38 C ATOM 4661 O PHE A 296 12.431 −2.151 −6.656 1.00 41.20 O ATOM 4662 N ARG A 297 10.485 −2.688 −5.654 1.00 37.55 N ATOM 4664 CA ARG A 297 10.624 −1.626 −4.641 1.00 38.59 C ATOM 4666 CB ARG A 297 9.581 −0.566 −4.833 1.00 38.15 C ATOM 4669 CG ARG A 297 8.264 −0.977 −4.508 1.00 37.91 C ATOM 4672 CD ARG A 297 7.234 −0.020 −5.035 1.00 42.44 C ATOM 4675 NE ARG A 297 5.889 −0.478 −4.612 1.00 45.80 N ATOM 4677 CZ ARG A 297 4.753 −0.271 −5.262 1.00 40.89 C ATOM 4678 NH1 ARG A 297 4.710 −0.368 −6.409 1.00 50.48 N ATOM 4681 NH2 ARG A 297 3.650 −0.712 −4.767 1.00 38.31 N ATOM 4684 C ARG A 297 10.560 −1.944 −3.197 1.00 34.05 C ATOM 4685 O ARG A 297 9.901 −2.904 −2.761 1.00 38.82 O ATOM 4686 N ILE A 298 11.224 −1.092 −2.432 1.00 34.02 N ATOM 4688 CA ILE A 298 11.194 −1.240 −0.978 1.00 33.72 C ATOM 4690 CB ILE A 298 12.584 −1.357 −0.399 1.00 35.84 C ATOM 4692 CG1 ILE A 298 13.586 −0.429 −1.006 1.00 40.04 C ATOM 4695 CD1 ILE A 298 15.017 −0.629 −0.399 1.00 38.54 C ATOM 4699 CG2 ILE A 298 13.234 −2.643 −0.863 1.00 40.77 C ATOM 4703 C ILE A 298 10.474 −0.050 −0.493 1.00 33.09 C ATOM 4704 O ILE A 298 10.772 1.009 −0.956 1.00 35.93 O ATOM 4705 N THR A 299 9.508 −0.206 0.402 1.00 38.13 N ATOM 4707 CA THR A 299 8.788 0.958 0.930 1.00 39.87 C ATOM 4709 CB THR A 299 7.268 0.829 0.737 1.00 41.38 C ATOM 4711 OG1 THR A 299 6.955 0.743 −0.658 1.00 41.84 O ATOM 4713 CG2 THR A 299 6.519 2.079 1.271 1.00 38.29 C ATOM 4717 C THR A 299 9.017 1.219 2.412 1.00 39.18 C ATOM 4718 O THR A 299 8.719 0.376 3.182 1.00 42.23 O ATOM 4719 N ILE A 300 9.561 2.371 2.818 1.00 45.04 N ATOM 4721 CA ILE A 300 9.712 2.602 4.257 1.00 43.86 C ATOM 4723 CB ILE A 300 11.112 3.118 4.717 1.00 43.97 C ATOM 4725 CG1 ILE A 300 11.584 4.378 4.011 1.00 45.01 C ATOM 4728 CD1 ILE A 300 12.548 5.177 4.939 1.00 40.08 C ATOM 4732 CG2 ILE A 300 12.167 2.091 4.499 1.00 47.96 C ATOM 4736 C ILE A 300 8.619 3.494 4.769 1.00 43.59 C ATOM 4737 O ILE A 300 7.878 4.094 4.001 1.00 44.78 O ATOM 4738 N LEU A 301 8.538 3.556 6.089 1.00 41.32 N ATOM 4740 CA LEU A 301 7.515 4.294 6.798 1.00 39.77 C ATOM 4742 CB LEU A 301 6.837 3.315 7.759 1.00 34.77 C ATOM 4745 CG LEU A 301 6.052 2.205 7.119 1.00 30.44 C ATOM 4747 CD1 LEU A 301 5.467 1.524 8.188 1.00 30.86 C ATOM 4751 CD2 LEU A 301 4.968 2.698 6.252 1.00 34.38 C ATOM 4755 C LEU A 301 8.106 5.431 7.632 1.00 39.51 C ATOM 4756 O LEU A 301 9.292 5.472 7.850 1.00 44.43 O ATOM 4757 N PRO A 302 7.286 6.338 8.142 1.00 38.79 N ATOM 4758 CA PRO A 302 7.819 7.393 9.001 1.00 36.78 C ATOM 4760 CB PRO A 302 6.590 8.187 9.424 1.00 37.00 C ATOM 4763 CG PRO A 302 5.410 7.604 8.714 1.00 36.36 C ATOM 4766 CD PRO A 302 5.832 6.424 7.958 1.00 36.66 C ATOM 4769 C PRO A 302 8.510 6.797 10.226 1.00 38.02 C ATOM 4770 O PRO A 302 9.516 7.327 10.642 1.00 33.13 O ATOM 4771 N GLN A 303 7.995 5.719 10.811 1.00 38.55 N ATOM 4773 CA GLN A 303 8.699 5.129 11.945 1.00 36.57 C ATOM 4775 CB GLN A 303 8.003 3.902 12.457 1.00 35.69 C ATOM 4778 CG GLN A 303 6.751 4.170 13.195 1.00 42.25 C ATOM 4781 CD GLN A 303 5.602 4.274 12.297 1.00 34.75 C ATOM 4782 OE1 GLN A 303 5.772 4.591 11.130 1.00 46.30 O ATOM 4783 NE2 GLN A 303 4.416 4.026 12.820 1.00 42.67 N ATOM 4786 C GLN A 303 10.113 4.672 11.588 1.00 42.43 C ATOM 4787 O GLN A 303 10.807 4.115 12.404 1.00 44.66 O ATOM 4788 N GLN A 304 10.554 4.872 10.373 1.00 44.05 N ATOM 4790 CA GLN A 304 11.919 4.525 10.089 1.00 43.84 C ATOM 4792 CB GLN A 304 12.025 3.506 8.939 1.00 44.50 C ATOM 4795 CG GLN A 304 11.789 2.069 9.464 1.00 40.62 C ATOM 4798 CD GLN A 304 10.436 1.517 9.204 1.00 41.50 C ATOM 4799 OE1 GLN A 304 9.915 0.808 10.039 1.00 46.70 O ATOM 4800 NE2 GLN A 304 9.849 1.830 8.050 1.00 43.88 N ATOM 4803 C GLN A 304 12.735 5.769 9.864 1.00 43.47 C ATOM 4804 O GLN A 304 13.806 5.890 10.460 1.00 57.31 O ATOM 4805 N TYR A 305 12.253 6.709 9.056 1.00 43.84 N ATOM 4807 CA TYR A 305 13.030 7.931 8.789 1.00 42.11 C ATOM 4809 CB TYR A 305 12.741 8.542 7.383 1.00 42.55 C ATOM 4812 CG TYR A 305 11.329 9.026 7.065 1.00 38.35 C ATOM 4813 CD1 TYR A 305 10.846 10.230 7.553 1.00 39.92 C ATOM 4815 CE1 TYR A 305 9.579 10.679 7.245 1.00 38.06 C ATOM 4817 CZ TYR A 305 8.745 9.931 6.432 1.00 44.35 C ATOM 4818 OH TYR A 305 7.445 10.380 6.121 1.00 47.26 O ATOM 4820 CE2 TYR A 305 9.206 8.737 5.934 1.00 41.55 C ATOM 4822 CD2 TYR A 305 10.502 8.296 6.252 1.00 39.60 C ATOM 4824 C TYR A 305 12.920 8.991 9.901 1.00 42.17 C ATOM 4825 O TYR A 305 13.587 10.034 9.828 1.00 47.00 O ATOM 4826 N LEU A 306 12.096 8.727 10.910 1.00 38.60 N ATOM 4828 CA LEU A 306 11.947 9.618 12.065 1.00 42.86 C ATOM 4830 CB LEU A 306 10.473 9.989 12.345 1.00 38.48 C ATOM 4833 CG LEU A 306 9.755 11.015 11.422 1.00 39.42 C ATOM 4835 CD1 LEU A 306 8.401 11.473 11.981 1.00 36.26 C ATOM 4839 CD2 LEU A 306 10.561 12.258 11.132 1.00 36.89 C ATOM 4843 C LEU A 306 12.538 8.831 13.236 1.00 48.77 C ATOM 4844 O LEU A 306 11.887 7.927 13.807 1.00 51.36 O ATOM 4845 N ARG A 307 13.770 9.181 13.589 1.00 47.61 N ATOM 4847 CA ARG A 307 14.523 8.445 14.583 1.00 47.50 C ATOM 4849 CB ARG A 307 15.977 8.359 14.079 1.00 46.68 C ATOM 4852 CG ARG A 307 17.104 8.267 15.066 1.00 41.90 C ATOM 4855 CD ARG A 307 18.410 8.260 14.346 1.00 41.76 C ATOM 4858 NE ARG A 307 19.209 9.451 14.580 1.00 42.84 N ATOM 4860 CZ ARG A 307 19.635 9.809 15.767 1.00 42.66 C ATOM 4861 NH1 ARG A 307 19.325 9.068 16.827 1.00 44.80 N ATOM 4864 NH2 ARG A 307 20.373 10.891 15.905 1.00 41.35 N ATOM 4867 C ARG A 307 14.391 9.070 15.969 1.00 52.43 C ATOM 4868 O ARG A 307 14.582 10.268 16.145 1.00 51.41 O ATOM 4869 N PRO A 308 14.052 8.249 16.959 1.00 57.65 N ATOM 4870 CA PRO A 308 13.891 8.738 18.339 1.00 55.79 C ATOM 4872 CB PRO A 308 13.330 7.543 19.096 1.00 57.01 C ATOM 4875 CG PRO A 308 13.086 6.449 18.086 1.00 57.54 C ATOM 4878 CD PRO A 308 13.797 6.803 16.819 1.00 53.58 C ATOM 4881 C PRO A 308 15.184 9.100 19.017 1.00 60.31 C ATOM 4882 O PRO A 308 16.192 8.452 18.810 1.00 58.95 O ATOM 4883 N VAL A 309 15.129 10.142 19.841 1.00 64.67 N ATOM 4885 CA VAL A 309 16.216 10.523 20.718 1.00 59.88 C ATOM 4887 CB VAL A 309 16.826 11.759 20.274 1.00 57.52 C ATOM 4889 CG1 VAL A 309 16.931 11.787 18.790 1.00 58.97 C ATOM 4893 CG2 VAL A 309 15.968 12.873 20.747 1.00 60.32 C ATOM 4897 C VAL A 309 15.562 10.936 22.006 1.00 63.55 C ATOM 4898 O VAL A 309 14.369 11.169 22.030 1.00 65.36 O ATOM 4899 N GLU A 310 16.327 11.070 23.074 1.00 73.08 N ATOM 4901 CA GLU A 310 15.760 11.539 24.338 1.00 80.08 C ATOM 4903 CB GLU A 310 16.753 11.379 25.475 1.00 81.78 C ATOM 4906 CG GLU A 310 16.107 11.808 26.784 1.00 86.56 C ATOM 4909 CD GLU A 310 14.633 11.391 26.845 1.00 90.07 C ATOM 4910 OE1 GLU A 310 14.305 10.227 26.469 1.00 87.88 O ATOM 4911 OE2 GLU A 310 13.795 12.227 27.261 1.00 91.15 O ATOM 4912 C GLU A 310 15.310 13.005 24.359 1.00 82.88 C ATOM 4913 O GLU A 310 16.115 13.897 24.106 1.00 83.61 O ATOM 4914 N ASP A 311 14.039 13.256 24.686 1.00 86.59 N ATOM 4916 CA ASP A 311 13.540 14.636 24.758 1.00 88.79 C ATOM 4918 CB ASP A 311 12.066 14.716 25.204 1.00 89.65 C ATOM 4921 CG ASP A 311 11.606 16.165 25.563 1.00 89.46 C ATOM 4922 OD1 ASP A 311 12.281 17.161 25.205 1.00 89.51 O ATOM 4923 OD2 ASP A 311 10.557 16.393 26.211 1.00 88.07 O ATOM 4924 C ASP A 311 14.414 15.373 25.737 1.00 89.45 C ATOM 4925 O ASP A 311 14.741 14.867 26.813 1.00 87.75 O ATOM 4926 N VAL A 312 14.782 16.582 25.353 1.00 93.56 N ATOM 4928 CA VAL A 312 15.717 17.361 26.138 1.00 96.45 C ATOM 4930 CB VAL A 312 15.534 18.893 25.873 1.00 95.52 C ATOM 4932 CG1 VAL A 312 16.767 19.678 26.302 1.00 96.45 C ATOM 4936 CG2 VAL A 312 15.280 19.146 24.380 1.00 95.45 C ATOM 4940 C VAL A 312 15.614 16.978 27.629 1.00 98.94 C ATOM 4941 O VAL A 312 16.541 16.375 28.178 1.00 100.66 O ATOM 4942 N ALA A 313 14.480 17.277 28.263 1.00 101.21 N ATOM 4944 CA ALA A 313 14.360 17.156 29.723 1.00 101.91 C ATOM 4946 CB ALA A 313 13.530 18.320 30.281 1.00 102.46 C ATOM 4950 C ALA A 313 13.798 15.850 30.241 1.00 103.33 C ATOM 4951 O ALA A 313 13.100 15.844 31.264 1.00 103.69 O ATOM 4952 N THR A 314 14.094 14.747 29.550 1.00 103.85 N ATOM 4954 CA THR A 314 13.656 13.428 30.005 1.00 102.71 C ATOM 4956 CB THR A 314 14.576 12.945 31.136 1.00 103.86 C ATOM 4958 OG1 THR A 314 14.595 13.910 32.195 1.00 101.42 O ATOM 4960 CG2 THR A 314 16.027 12.918 30.655 1.00 104.20 C ATOM 4964 C THR A 314 12.227 13.662 30.456 1.00 101.12 C ATOM 4965 O THR A 314 11.733 13.087 31.435 1.00 99.40 O ATOM 4966 N SER A 315 11.600 14.554 29.681 1.00 100.26 N ATOM 4968 CA SER A 315 10.272 15.102 29.911 1.00 97.93 C ATOM 4970 CB SER A 315 10.176 16.571 29.468 1.00 98.22 C ATOM 4973 OG SER A 315 9.684 16.683 28.145 1.00 97.07 O ATOM 4975 C SER A 315 9.481 14.178 29.038 1.00 94.99 C ATOM 4976 O SER A 315 10.031 13.632 28.084 1.00 94.86 O ATOM 4977 N GLN A 316 8.199 14.003 29.309 1.00 92.82 N ATOM 4979 CA GLN A 316 7.575 12.760 28.827 1.00 92.34 C ATOM 4981 CB GLN A 316 6.562 12.202 29.847 1.00 93.31 C ATOM 4984 CG GLN A 316 7.167 11.182 30.838 1.00 96.96 C ATOM 4987 CD GLN A 316 6.165 10.697 31.905 1.00 100.71 C ATOM 4988 OE1 GLN A 316 4.983 11.049 31.855 1.00 104.74 O ATOM 4989 NE2 GLN A 316 6.641 9.900 32.862 1.00 96.70 N ATOM 4992 C GLN A 316 6.981 12.858 27.449 1.00 86.40 C ATOM 4993 O GLN A 316 5.893 12.387 27.200 1.00 87.16 O ATOM 4994 N ASP A 317 7.727 13.465 26.549 1.00 81.89 N ATOM 4996 CA ASP A 317 7.241 13.689 25.213 1.00 82.26 C ATOM 4998 CB ASP A 317 7.243 15.194 24.971 1.00 84.30 C ATOM 5001 CG ASP A 317 6.705 15.965 26.178 1.00 89.01 C ATOM 5002 OD1 ASP A 317 5.730 15.458 26.802 1.00 91.04 O ATOM 5003 OD2 ASP A 317 7.188 17.060 26.578 1.00 87.88 O ATOM 5004 C ASP A 317 8.072 12.925 24.173 1.00 78.89 C ATOM 5005 O ASP A 317 9.277 13.134 24.036 1.00 81.83 O ATOM 5006 N ASP A 318 7.428 12.025 23.439 1.00 73.81 N ATOM 5008 CA ASP A 318 8.155 11.262 22.451 1.00 66.66 C ATOM 5010 CB ASP A 318 7.241 10.236 21.763 1.00 64.21 C ATOM 5013 CG ASP A 318 6.808 9.090 22.706 1.00 64.94 C ATOM 5014 OD1 ASP A 318 5.736 8.463 22.486 1.00 68.15 O ATOM 5015 OD2 ASP A 318 7.470 8.740 23.698 1.00 61.61 O ATOM 5016 C ASP A 318 8.666 12.307 21.485 1.00 61.08 C ATOM 5017 O ASP A 318 7.859 12.973 20.848 1.00 60.70 O ATOM 5018 N CYS A 319 9.990 12.464 21.414 1.00 55.63 N ATOM 5020 CA CYS A 319 10.655 13.418 20.497 1.00 55.86 C ATOM 5022 CB CYS A 319 11.595 14.339 21.302 1.00 56.79 C ATOM 5025 SG CYS A 319 10.863 15.611 22.418 1.00 63.91 S ATOM 5026 C CYS A 319 11.458 12.689 19.373 1.00 51.54 C ATOM 5027 O CYS A 319 11.816 11.533 19.532 1.00 51.66 O ATOM 5028 N TYR A 320 11.761 13.350 18.252 1.00 52.64 N ATOM 5030 CA TYR A 320 12.442 12.673 17.126 1.00 52.76 C ATOM 5032 CB TYR A 320 11.419 11.973 16.190 1.00 54.35 C ATOM 5035 CG TYR A 320 10.480 10.999 16.836 1.00 48.89 C ATOM 5036 CD1 TYR A 320 9.245 11.395 17.280 1.00 51.58 C ATOM 5038 CE1 TYR A 320 8.367 10.513 17.879 1.00 51.79 C ATOM 5040 CZ TYR A 320 8.724 9.195 18.030 1.00 59.86 C ATOM 5041 OH TYR A 320 7.873 8.275 18.620 1.00 65.37 O ATOM 5043 CE2 TYR A 320 9.952 8.770 17.589 1.00 61.76 C ATOM 5045 CD2 TYR A 320 10.828 9.691 16.988 1.00 58.71 C ATOM 5047 C TYR A 320 13.207 13.621 16.224 1.00 49.27 C ATOM 5048 O TYR A 320 12.864 14.785 16.151 1.00 48.00 O ATOM 5049 N LYS A 321 14.208 13.094 15.517 1.00 47.06 N ATOM 5051 CA LYS A 321 15.025 13.851 14.547 1.00 49.46 C ATOM 5053 CB LYS A 321 16.515 13.796 14.895 1.00 48.67 C ATOM 5056 CG LYS A 321 17.182 15.141 15.141 1.00 53.31 C ATOM 5059 CD LYS A 321 18.714 15.093 14.895 1.00 53.64 C ATOM 5062 CE LYS A 321 19.429 16.349 15.512 1.00 55.80 C ATOM 5065 NZ LYS A 321 20.917 16.178 15.790 1.00 57.93 N ATOM 5069 C LYS A 321 14.857 13.255 13.163 1.00 43.54 C ATOM 5070 O LYS A 321 14.681 12.069 13.016 1.00 49.60 O ATOM 5071 N PHE A 322 14.947 14.097 12.161 1.00 41.25 N ATOM 5073 CA PHE A 322 14.655 13.750 10.791 1.00 43.43 C ATOM 5075 CB PHE A 322 14.199 15.061 10.075 1.00 45.65 C ATOM 5078 CG PHE A 322 13.807 14.910 8.629 1.00 41.86 C ATOM 5079 CD1 PHE A 322 12.758 14.134 8.257 1.00 41.79 C ATOM 5081 CE1 PHE A 322 12.427 14.000 6.960 1.00 37.29 C ATOM 5083 CZ PHE A 322 13.125 14.653 5.982 1.00 40.05 C ATOM 5085 CE2 PHE A 322 14.158 15.436 6.310 1.00 42.54 C ATOM 5087 CD2 PHE A 322 14.509 15.566 7.642 1.00 46.49 C ATOM 5089 C PHE A 322 15.961 13.138 10.239 1.00 48.97 C ATOM 5090 O PHE A 322 16.981 13.817 10.014 1.00 48.91 O ATOM 5091 N ALA A 323 15.922 11.831 10.036 1.00 42.08 N ATOM 5093 CA ALA A 323 17.072 11.115 9.597 1.00 39.45 C ATOM 5095 CB ALA A 323 17.011 9.753 10.228 1.00 38.16 C ATOM 5099 C ALA A 323 17.297 11.012 8.047 1.00 42.70 C ATOM 5100 O ALA A 323 17.863 10.006 7.562 1.00 40.41 O ATOM 5101 N ILE A 324 16.914 12.027 7.268 1.00 39.06 N ATOM 5103 CA ILE A 324 17.177 11.971 5.799 1.00 40.46 C ATOM 5105 CB ILE A 324 15.911 12.049 4.976 1.00 35.33 C ATOM 5107 CG1 ILE A 324 15.063 10.826 5.158 1.00 41.82 C ATOM 5110 CD1 ILE A 324 13.800 10.854 4.283 1.00 45.15 C ATOM 5114 CG2 ILE A 324 16.241 12.092 3.553 1.00 39.72 C ATOM 5118 C ILE A 324 18.000 13.179 5.453 1.00 41.45 C ATOM 5119 O ILE A 324 17.491 14.268 5.571 1.00 47.75 O ATOM 5120 N SER A 325 19.244 13.022 5.011 1.00 45.67 N ATOM 5122 CA SER A 325 20.148 14.181 4.894 1.00 47.83 C ATOM 5124 CB SER A 325 21.194 14.129 5.977 1.00 51.02 C ATOM 5127 OG SER A 325 21.991 12.978 5.786 1.00 60.15 O ATOM 5129 C SER A 325 20.831 14.230 3.573 1.00 44.39 C ATOM 5130 O SER A 325 20.699 13.316 2.780 1.00 51.62 O ATOM 5131 N GLN A 326 21.579 15.286 3.320 1.00 49.08 N ATOM 5133 CA GLN A 326 22.095 15.527 1.954 1.00 50.41 C ATOM 5135 CB GLN A 326 21.980 17.004 1.575 1.00 50.65 C ATOM 5138 CG GLN A 326 22.818 17.900 2.410 1.00 59.27 C ATOM 5141 CD GLN A 326 22.308 19.336 2.379 1.00 69.60 C ATOM 5142 OE1 GLN A 326 22.805 20.165 1.608 1.00 81.67 O ATOM 5143 NE2 GLN A 326 21.315 19.636 3.215 1.00 74.53 N ATOM 5146 C GLN A 326 23.522 15.036 1.838 1.00 47.73 C ATOM 5147 O GLN A 326 24.139 14.823 2.858 1.00 39.28 O ATOM 5148 N SER A 327 24.036 14.838 0.616 1.00 50.50 N ATOM 5150 CA SER A 327 25.349 14.191 0.407 1.00 48.29 C ATOM 5152 CB SER A 327 25.170 12.660 0.588 1.00 50.33 C ATOM 5155 OG SER A 327 26.109 11.808 −0.130 1.00 44.83 O ATOM 5157 C SER A 327 26.057 14.402 −0.934 1.00 54.98 C ATOM 5158 O SER A 327 25.440 14.385 −2.005 1.00 60.63 O ATOM 5159 N SER A 328 27.375 14.538 −0.843 1.00 58.53 N ATOM 5161 CA SER A 328 28.228 14.891 −1.967 1.00 59.21 C ATOM 5163 CB SER A 328 29.294 15.862 −1.479 1.00 59.74 C ATOM 5166 OG SER A 328 30.068 15.264 −0.446 1.00 58.39 O ATOM 5168 C SER A 328 28.901 13.650 −2.507 1.00 63.61 C ATOM 5169 O SER A 328 29.458 13.656 −3.630 1.00 62.54 O ATOM 5170 N THR A 329 28.861 12.588 −1.696 1.00 60.68 N ATOM 5172 CA THR A 329 29.372 11.305 −2.132 1.00 58.73 C ATOM 5174 CB THR A 329 30.254 10.683 −1.073 1.00 59.15 C ATOM 5176 OG1 THR A 329 29.635 10.794 0.212 1.00 56.80 O ATOM 5178 CG2 THR A 329 31.542 11.477 −0.972 1.00 61.68 C ATOM 5182 C THR A 329 28.280 10.328 −2.543 1.00 55.97 C ATOM 5183 O THR A 329 28.473 9.113 −2.470 1.00 61.73 O ATOM 5184 N GLY A 330 27.131 10.843 −2.965 1.00 52.78 N ATOM 5186 CA GLY A 330 26.102 9.994 −3.558 1.00 47.81 C ATOM 5189 C GLY A 330 25.072 9.508 −2.565 1.00 40.66 C ATOM 5190 O GLY A 330 25.057 9.994 −1.446 1.00 41.70 O ATOM 5191 N THR A 331 24.242 8.545 −2.962 1.00 37.29 N ATOM 5193 CA THR A 331 23.170 8.072 −2.094 1.00 37.86 C ATOM 5195 CB THR A 331 22.068 7.313 −2.904 1.00 39.26 C ATOM 5197 OG1 THR A 331 21.479 8.139 −3.916 1.00 39.31 O ATOM 5199 CG2 THR A 331 20.888 7.049 −2.051 1.00 42.31 C ATOM 5203 C THR A 331 23.756 7.124 −1.078 1.00 39.73 C ATOM 5204 O THR A 331 24.660 6.353 −1.407 1.00 44.56 O ATOM 5205 N VAL A 332 23.258 7.178 0.154 1.00 40.26 N ATOM 5207 CA VAL A 332 23.641 6.187 1.152 1.00 35.90 C ATOM 5209 CB VAL A 332 24.604 6.690 2.229 1.00 40.57 C ATOM 5211 CG1 VAL A 332 24.912 5.525 3.187 1.00 39.73 C ATOM 5215 CG2 VAL A 332 25.881 7.177 1.612 1.00 41.22 C ATOM 5219 C VAL A 332 22.424 5.582 1.853 1.00 42.39 C ATOM 5220 O VAL A 332 21.729 6.293 2.599 1.00 41.60 O ATOM 5221 N MET A 333 22.203 4.285 1.594 1.00 37.82 N ATOM 5223 CA MET A 333 21.117 3.471 2.170 1.00 36.93 C ATOM 5225 CB MET A 333 20.723 2.317 1.246 1.00 37.72 C ATOM 5228 CG MET A 333 20.166 2.782 −0.085 1.00 41.56 C ATOM 5231 SD MET A 333 19.579 1.455 −1.132 1.00 50.56 S ATOM 5232 CE MET A 333 18.013 1.284 −0.388 1.00 55.20 C ATOM 5236 C MET A 333 21.588 2.919 3.503 1.00 41.46 C ATOM 5237 O MET A 333 22.205 1.777 3.611 1.00 39.46 O ATOM 5238 N GLY A 334 21.291 3.762 4.508 1.00 40.49 N ATOM 5240 CA GLY A 334 21.812 3.648 5.846 1.00 38.05 C ATOM 5243 C GLY A 334 20.941 2.902 6.789 1.00 38.82 C ATOM 5244 O GLY A 334 19.921 2.335 6.417 1.00 44.15 O ATOM 5245 N ALA A 335 21.359 2.914 8.045 1.00 38.69 N ATOM 5247 CA ALA A 335 20.658 2.169 9.044 1.00 38.89 C ATOM 5249 CB ALA A 335 21.021 2.632 10.403 1.00 39.90 C ATOM 5253 C ALA A 335 19.193 2.369 8.825 1.00 42.45 C ATOM 5254 O ALA A 335 18.353 1.432 8.827 1.00 41.48 O ATOM 5255 N VAL A 336 18.830 3.606 8.611 1.00 43.44 N ATOM 5257 CA VAL A 336 17.425 3.755 8.643 1.00 46.66 C ATOM 5259 CB VAL A 336 16.973 5.203 8.808 1.00 49.40 C ATOM 5261 CG1 VAL A 336 17.623 5.737 10.156 1.00 55.39 C ATOM 5265 CG2 VAL A 336 17.340 6.070 7.645 1.00 52.52 C ATOM 5269 C VAL A 336 16.921 2.865 7.543 1.00 46.80 C ATOM 5270 O VAL A 336 16.221 1.924 7.810 1.00 48.30 O ATOM 5271 N ILE A 337 17.318 3.049 6.309 1.00 45.47 N ATOM 5273 CA ILE A 337 16.677 2.216 5.338 1.00 36.74 C ATOM 5275 CB ILE A 337 17.298 2.390 3.978 1.00 39.78 C ATOM 5277 CG1 ILE A 337 17.151 3.822 3.500 1.00 36.27 C ATOM 5280 CD1 ILE A 337 15.779 4.199 3.294 1.00 43.14 C ATOM 5284 CG2 ILE A 337 16.671 1.450 2.978 1.00 34.84 C ATOM 5288 C ILE A 337 16.885 0.804 5.806 1.00 39.51 C ATOM 5289 O ILE A 337 16.013 −0.096 5.623 1.00 35.70 O ATOM 5290 N MET A 338 18.031 0.511 6.397 1.00 38.60 N ATOM 5292 CA MET A 338 18.215 −0.928 6.662 1.00 39.01 C ATOM 5294 CB MET A 338 19.673 −1.259 7.028 1.00 37.15 C ATOM 5297 CG MET A 338 20.587 −1.321 5.812 1.00 38.15 C ATOM 5300 SD MET A 338 22.320 −1.770 6.100 1.00 49.00 S ATOM 5301 CE MET A 338 22.236 −3.500 6.563 1.00 47.85 C ATOM 5305 C MET A 338 17.197 −1.470 7.680 1.00 36.06 C ATOM 5306 O MET A 338 16.768 −2.596 7.615 1.00 40.65 O ATOM 5307 N GLU A 339 16.780 −0.644 8.610 1.00 43.64 N ATOM 5309 CA GLU A 339 15.981 −1.092 9.755 1.00 43.34 C ATOM 5311 CB GLU A 339 15.922 0.036 10.811 1.00 44.54 C ATOM 5314 CG GLU A 339 16.905 −0.101 11.984 1.00 50.03 C ATOM 5317 CD GLU A 339 17.134 1.179 12.854 1.00 50.19 C ATOM 5318 OE1 GLU A 339 18.297 1.508 13.284 1.00 50.60 O ATOM 5319 OE2 GLU A 339 16.170 1.853 13.133 1.00 52.29 O ATOM 5320 C GLU A 339 14.593 −1.616 9.375 1.00 44.44 C ATOM 5321 O GLU A 339 13.825 −2.079 10.235 1.00 48.83 O ATOM 5322 N GLY A 340 14.257 −1.572 8.096 1.00 37.01 N ATOM 5324 CA GLY A 340 13.003 −2.140 7.664 1.00 35.04 C ATOM 5327 C GLY A 340 13.074 −3.539 7.035 1.00 37.57 C ATOM 5328 O GLY A 340 12.067 −4.268 6.954 1.00 30.82 O ATOM 5329 N PHE A 341 14.251 −3.954 6.584 1.00 36.28 N ATOM 5331 CA PHE A 341 14.284 −5.201 5.860 1.00 37.94 C ATOM 5333 CB PHE A 341 14.549 −4.833 4.467 1.00 35.78 C ATOM 5336 CG PHE A 341 13.721 −3.727 4.036 1.00 36.57 C ATOM 5337 CD1 PHE A 341 14.141 −2.449 4.214 1.00 42.48 C ATOM 5339 CE1 PHE A 341 13.364 −1.430 3.810 1.00 45.68 C ATOM 5341 CZ PHE A 341 12.165 −1.691 3.237 1.00 43.50 C ATOM 5343 CE2 PHE A 341 11.735 −2.983 3.058 1.00 39.45 C ATOM 5345 CD2 PHE A 341 12.493 −3.971 3.451 1.00 39.09 C ATOM 5347 C PHE A 341 15.287 −6.189 6.323 1.00 37.29 C ATOM 5348 O PHE A 341 16.019 −5.890 7.200 1.00 41.19 O ATOM 5349 N TYR A 342 15.294 −7.383 5.745 1.00 38.28 N ATOM 5351 CA TYR A 342 16.295 −8.381 6.079 1.00 39.65 C ATOM 5353 CB TYR A 342 15.710 −9.774 6.073 1.00 40.40 C ATOM 5356 CG TYR A 342 16.664 −10.890 6.407 1.00 41.95 C ATOM 5357 CD1 TYR A 342 17.625 −10.727 7.340 1.00 43.94 C ATOM 5359 CE1 TYR A 342 18.488 −11.731 7.651 1.00 48.72 C ATOM 5361 CZ TYR A 342 18.405 −12.947 7.036 1.00 49.33 C ATOM 5362 OH TYR A 342 19.319 −13.922 7.408 1.00 51.44 O ATOM 5364 CE2 TYR A 342 17.442 −13.159 6.091 1.00 43.68 C ATOM 5366 CD2 TYR A 342 16.573 −12.122 5.784 1.00 47.27 C ATOM 5368 C TYR A 342 17.119 −8.182 4.875 1.00 36.83 C ATOM 5369 O TYR A 342 16.568 −8.334 3.816 1.00 38.58 O ATOM 5370 N VAL A 343 18.398 −7.818 4.992 1.00 32.01 N ATOM 5372 CA VAL A 343 19.202 −7.554 3.788 1.00 31.56 C ATOM 5374 CB VAL A 343 20.074 −6.367 3.980 1.00 35.24 C ATOM 5376 CG1 VAL A 343 20.737 −5.970 2.673 1.00 32.39 C ATOM 5380 CG2 VAL A 343 19.278 −5.211 4.529 1.00 41.31 C ATOM 5384 C VAL A 343 20.130 −8.701 3.611 1.00 29.86 C ATOM 5385 O VAL A 343 20.695 −9.101 4.562 1.00 31.04 O ATOM 5386 N VAL A 344 20.316 −9.232 2.414 1.00 33.91 N ATOM 5388 CA VAL A 344 21.212 −10.337 2.216 1.00 28.64 C ATOM 5390 CB VAL A 344 20.420 −11.348 1.500 1.00 33.00 C ATOM 5392 CG1 VAL A 344 21.253 −12.622 1.272 1.00 39.15 C ATOM 5396 CG2 VAL A 344 19.173 −11.671 2.320 1.00 32.27 C ATOM 5400 C VAL A 344 22.433 −10.004 1.360 1.00 32.31 C ATOM 5401 O VAL A 344 22.298 −9.878 0.166 1.00 36.99 O ATOM 5402 N PHE A 345 23.621 −9.871 1.945 1.00 36.90 N ATOM 5404 CA PHE A 345 24.822 −9.592 1.141 1.00 36.18 C ATOM 5406 CB PHE A 345 25.861 −8.841 1.954 1.00 38.02 C ATOM 5409 CG PHE A 345 25.449 −7.408 2.249 1.00 37.44 C ATOM 5410 CD1 PHE A 345 25.889 −6.348 1.501 1.00 42.15 C ATOM 5412 CE1 PHE A 345 25.487 −5.139 1.797 1.00 40.37 C ATOM 5414 CZ PHE A 345 24.621 −4.914 2.850 1.00 36.09 C ATOM 5416 CE2 PHE A 345 24.186 −5.924 3.581 1.00 34.23 C ATOM 5418 CD2 PHE A 345 24.597 −7.177 3.279 1.00 32.71 C ATOM 5420 C PHE A 345 25.443 −10.824 0.522 1.00 36.14 C ATOM 5421 O PHE A 345 26.486 −11.317 0.958 1.00 39.03 O ATOM 5422 N ASP A 346 24.785 −11.298 −0.525 1.00 35.28 N ATOM 5424 CA ASP A 346 25.157 −12.498 −1.257 1.00 33.32 C ATOM 5426 CB ASP A 346 23.865 −12.940 −1.938 1.00 43.05 C ATOM 5429 CG ASP A 346 23.993 −14.184 −2.742 1.00 44.26 C ATOM 5430 OD1 ASP A 346 25.122 −14.682 −2.972 1.00 49.09 O ATOM 5431 OD2 ASP A 346 22.961 −14.707 −3.196 1.00 44.53 O ATOM 5432 C ASP A 346 26.310 −12.270 −2.247 1.00 37.90 C ATOM 5433 O ASP A 346 26.156 −12.107 −3.481 1.00 32.28 O ATOM 5434 N ARG A 347 27.498 −12.256 −1.659 1.00 40.60 N ATOM 5436 CA ARG A 347 28.764 −12.187 −2.385 1.00 37.22 C ATOM 5438 CB ARG A 347 29.896 −12.280 −1.348 1.00 40.87 C ATOM 5441 CG ARG A 347 29.903 −11.047 −0.457 1.00 34.79 C ATOM 5444 CD ARG A 347 30.720 −11.142 0.739 1.00 35.83 C ATOM 5447 NE ARG A 347 32.086 −11.477 0.381 1.00 46.81 N ATOM 5449 CZ ARG A 347 33.161 −10.768 0.700 1.00 48.24 C ATOM 5450 NH1 ARG A 347 33.029 −9.658 1.397 1.00 55.18 N ATOM 5453 NH2 ARG A 347 34.372 −11.171 0.317 1.00 45.55 N ATOM 5456 C ARG A 347 28.920 −13.265 −3.429 1.00 36.71 C ATOM 5457 O ARG A 347 29.227 −12.993 −4.573 1.00 45.36 O ATOM 5456 N ALA A 348 28.699 −14.501 −3.041 1.00 42.24 N ATOM 5460 CA ALA A 348 28.835 −15.651 −3.960 1.00 46.74 C ATOM 5462 CB ALA A 348 28.168 −16.883 −3.369 1.00 49.53 C ATOM 5466 C ALA A 348 28.256 −15.440 −5.301 1.00 43.78 C ATOM 5467 O ALA A 348 28.804 −15.893 −6.279 1.00 51.15 O ATOM 5468 N ARG A 349 27.114 −14.772 −5.347 1.00 50.73 N ATOM 5470 CA ARG A 349 26.435 −14.531 −6.606 1.00 45.15 C ATOM 5472 CB ARG A 349 25.008 −15.048 −6.522 J..00 46.17 C ATOM 5475 CG ARG A 349 25.021 −16.582 −6.566 1.00 50.92 C ATOM 5478 CD ARG A 349 23.678 −17.332 −6.431 1.00 56.96 C ATOM 5481 NE ARG A 349 22.731 −17.167 −7.546 1.00 58.75 N ATOM 5483 CZ ARG A 349 21.525 −17.757 −7.576 1.00 59.56 C ATOM 5484 NH1 ARG A 349 21.140 −18.544 −6.575 1.00 56.83 N ATOM 5487 NH2 ARG A 349 20.699 −17.576 −8.596 1.00 57.83 N ATOM 5490 C ARG A 349 26.515 −13.088 −7.031 1.00 46.61 C ATOM 5491 O ARG A 349 26.054 −12.752 −8.115 1.00 48.78 O ATOM 5492 N LYS A 350 27.108 −12.227 −6.198 1.00 43.49 N ATOM 5494 CA LYS A 350 27.257 −10.824 −6.565 1.00 39.81 C ATOM 5496 CB LYS A 350 27.981 −10.696 −7.901 1.00 42.63 C ATOM 5499 CG LYS A 350 28.391 −9.252 −8.257 1.00 54.21 C ATOM 5502 CD LYS A 350 29.456 −9.124 −9.427 1.00 58.86 C ATOM 5505 CE LYS A 350 29.595 −7.616 −9.867 1.00 62.75 C ATOM 5508 NZ LYS A 350 30.563 −7.261 −10.973 1.00 61.28 N ATOM 5512 C LYS A 350 25.878 −10.169 −6.591 1.00 42.26 C ATOM 5513 O LYS A 350 25.434 −9.629 −7.620 1.00 36.83 O ATOM 5514 N ARG A 351 25.198 −10.229 −5.431 1.00 43.25 N ATOM 5516 CA ARG A 351 23.853 −9.649 −5.285 1.00 39.90 C ATOM 5518 CB ARG A 351 22.823 −10.612 −5.867 1.00 38.47 C ATOM 5521 CG ARG A 351 22.635 −11.942 −5.173 1.00 40.60 C ATOM 5524 CD ARG A 351 21.811 −12.900 −6.063 1.00 43.93 C ATOM 5527 NE ARG A 351 21.546 −14.178 −5.418 1.00 50.64 N ATOM 5529 CZ ARG A 351 20.398 −14.872 −5.490 1.00 44.16 C ATOM 5530 NH1 ARG A 351 19.376 −14.454 −6.184 1.00 30.21 N ATOM 5533 NH2 ARG A 351 20.298 −16.009 −4.839 1.00 45.65 N ATOM 5536 C ARG A 351 23.449 −9.270 −3.872 1.00 34.43 C ATOM 5537 O ARG A 351 23.928 −9.841 −2.946 1.00 40.67 O ATOM 5538 N ILE A 352 22.562 −8.292 −3.711 1.00 34.43 N ATOM 5540 CA ILE A 352 21.995 −7.958 −2.397 1.00 28.97 C ATOM 5542 CB ILE A 352 22.232 −6.539 −2.051 1.00 30.73 C ATOM 5544 CG1 ILE A 352 23.729 −6.288 −2.019 1.00 31.97 C ATOM 5547 CD1 ILE A 352 24.027 −4.969 −2.366 1.00 34.88 C ATOM 5551 CG2 ILE A 352 21.688 −6.255 −0.674 1.00 32.36 C ATOM 5555 C ILE A 352 20.527 −8.181 −2.397 1.00 31.19 C ATOM 5556 O ILE A 352 19.848 −7.740 −3.309 1.00 31.73 O ATOM 5557 N GLY A 353 20.032 −8.875 −1.372 1.00 36.35 N ATOM 5559 CA GLY A 353 18.629 −9.239 −1.311 1.00 37.89 C ATOM 5562 C GLY A 353 17.850 −8.451 −0.291 1.00 38.37 C ATOM 5563 O GLY A 353 18.393 −8.137 0.759 1.00 42.00 O ATOM 5564 N PHE A 354 16.586 −8.143 −0.592 1.00 37.07 N ATOM 5566 CA PHE A 354 15.730 −7.427 0.352 1.00 31.53 C ATOM 5568 CB PHE A 354 15.379 −5.999 −0.164 1.00 29.79 C ATOM 5571 CG PHE A 354 16.557 −5.063 −0.308 1.00 26.28 C ATOM 5572 CD1 PHE A 354 17.323 −5.078 −1.450 1.00 32.33 C ATOM 5574 CE1 PHE A 354 18.424 −4.209 −1.598 1.00 34.84 C ATOM 5576 CZ PHE A 354 18.742 −3.320 −0.581 1.00 35.73 C ATOM 5578 CE2 PHE A 354 17.971 −3.287 0.571 1.00 27.61 C ATOM 5580 CD2 PHE A 354 16.885 −4.148 0.704 1.00 28.09 C ATOM 5582 C PHE A 354 14.415 −8.191 0.649 1.00 31.75 C ATOM 5583 O PHE A 354 13.752 −8.665 −0.273 1.00 35.59 O ATOM 5584 N ALA A 355 14.065 −8.308 1.934 1.00 26.00 N ATOM 5586 CA ALA A 355 12.707 −8.676 2.345 1.00 25.47 C ATOM 5588 CB ALA A 355 12.652 −10.035 2.579 1.00 28.36 C ATOM 5592 C ALA A 355 12.222 −7.961 3.602 1.00 30.38 C ATOM 5593 O ALA A 355 13.009 −7.387 4.333 1.00 31.09 O ATOM 5594 N VAL A 356 10.912 −7.991 3.860 1.00 35.80 N ATOM 5596 CA VAL A 356 10.326 −7.206 4.958 1.00 37.43 C ATOM 5598 CB VAL A 356 8.800 −7.269 4.990 1.00 36.49 C ATOM 5600 CG1 VAL A 356 8.258 −6.199 5.891 1.00 41.38 C ATOM 5604 CG2 VAL A 356 8.253 −7.092 3.695 1.00 35.72 C ATOM 5608 C VAL A 356 10.735 −7.852 6.243 1.00 41.52 C ATOM 5609 O VAL A 356 10.683 −9.066 6.331 1.00 37.93 O ATOM 5610 N SER A 357 11.104 −7.051 7.242 1.00 43.38 N ATOM 5612 CA SER A 357 11.551 −7.584 8.506 1.00 39.52 C ATOM 5614 CB SER A 357 12.327 −6.514 9.235 1.00 45.00 C ATOM 5617 OG SER A 357 13.156 −7.090 10.258 1.00 55.64 O ATOM 5619 C SER A 357 10.410 −8.000 9.368 1.00 45.19 C ATOM 5620 O SER A 357 9.356 −7.417 9.314 1.00 52.71 O ATOM 5621 N ALA A 358 10.599 −9.023 10.193 1.00 51.62 N ATOM 5623 CA ALA A 358 9.558 −9.402 11.143 1.00 47.19 C ATOM 5625 CB ALA A 358 9.455 −10.874 11.270 1.00 44.33 C ATOM 5629 C ALA A 358 9.858 −8.814 12.486 1.00 53.26 C ATOM 5630 O ALA A 358 9.324 −9.302 13.472 1.00 58.72 O ATOM 5631 N CYS A 359 10.720 −7.790 12.540 1.00 54.45 N ATOM 5633 CA CYS A 359 10.962 −7.065 13.779 1.00 52.85 C ATOM 5635 CB CYS A 359 12.325 −7.455 14.429 1.00 55.72 C ATOM 5638 SG CYS A 359 13.911 −6.785 13.755 1.00 65.10 S ATOM 5639 C CYS A 359 10.793 −5.543 13.583 1.00 53.76 C ATOM 5640 O CYS A 359 11.047 −4.789 14.519 1.00 60.53 O ATOM 5641 N HIS A 360 10.332 −5.075 12.412 1.00 45.54 N ATOM 5643 CA HIS A 360 10.265 −3.631 12.161 1.00 38.19 C ATOM 5645 CB HIS A 360 10.274 −3.291 10.655 1.00 31.06 C ATOM 5648 CG HIS A 360 8.951 −3.409 9.972 1.00 34.23 C ATOM 5649 ND1 HIS A 360 8.422 −4.617 9.566 1.00 43.85 N ATOM 5651 CE1 HIS A 360 7.259 −4.425 8.979 1.00 30.40 C ATOM 5653 NE2 HIS A 360 7.010 −3.130 8.992 1.00 36.44 N ATOM 5655 CD2 HIS A 360 8.051 −2.475 9.607 1.00 29.91 C ATOM 5657 C HIS A 360 9.170 −2.820 12.921 1.00 41.87 C ATOM 5658 O HIS A 360 8.085 −3.281 13.248 1.00 47.13 O ATOM 5659 N VAL A 361 9.488 −1.576 13.194 1.00 36.30 N ATOM 5661 CA VAL A 361 8.626 −0.768 13.971 1.00 36.06 C ATOM 5663 CB VAL A 361 9.448 0.396 14.601 1.00 33.69 C ATOM 5665 CG1 VAL A 361 8.519 1.388 15.203 1.00 33.28 C ATOM 5669 CG2 VAL A 361 10.371 −0.136 15.590 1.00 30.28 C ATOM 5673 C VAL A 361 7.498 −0.219 13.100 1.00 35.37 C ATOM 5674 O VAL A 361 7.749 0.397 12.095 1.00 28.73 O ATOM 5675 N HIS A 362 6.262 −0.453 13.489 1.00 38.93 N ATOM 5677 CA HIS A 362 5.119 0.046 12.726 1.00 43.25 C ATOM 5679 CB HIS A 362 4.939 −0.771 11.462 1.00 43.67 C ATOM 5682 CG HIS A 362 4.555 −2.203 11.705 1.00 46.38 C ATOM 5683 ND1 HIS A 362 5.479 −3.210 11.850 1.00 49.03 N ATOM 5685 CE1 HIS A 362 4.855 −4.363 12.037 1.00 50.56 C ATOM 5687 NE2 HIS A 362 3.558 −4.143 12.013 1.00 45.23 N ATOM 5689 CD2 HIS A 362 3.345 −2.799 11.810 1.00 51.21 C ATOM 5691 C HIS A 362 3.831 0.124 13.587 1.00 44.78 C ATOM 5692 O HIS A 362 3.871 −0.147 14.749 1.00 49.93 O ATOM 5693 N ASP A 363 2.704 0.524 13.028 1.00 48.91 N ATOM 5695 CA ASP A 363 1.412 0.508 13.729 1.00 48.67 C ATOM 5697 CB ASP A 363 0.779 1.835 13.601 1.00 46.80 C ATOM 5700 CG ASP A 363 0.798 2.252 12.190 1.00 56.05 C ATOM 5701 OD1 ASP A 363 0.064 1.570 11.427 1.00 62.04 O ATOM 5702 OD2 ASP A 363 1.530 3.170 11.732 1.00 53.10 O ATOM 5703 C ASP A 363 0.583 −0.390 12.839 1.00 50.55 C ATOM 5704 O ASP A 363 1.082 −0.877 11.824 1.00 49.82 O ATOM 5705 N GLU A 364 −0.698 −0.564 13.161 1.00 51.52 N ATOM 5707 CA GLU A 364 −1.506 −1.526 12.443 1.00 50.07 C ATOM 5709 CB GLU A 364 −2.705 −1.964 13.242 1.00 54.11 C ATOM 5712 CG GLU A 364 −3.727 −0.871 13.464 1.00 56.03 C ATOM 5715 CD GLU A 364 −5.070 −1.412 13.986 1.00 64.46 C ATOM 5716 OE1 GLU A 364 −6.040 −0.598 13.967 1.00 76.03 O ATOM 5717 OE2 GLU A 364 −5.182 −2.618 14.399 1.00 46.64 O ATOM 5718 C GLU A 364 −1.989 −1.015 11.144 1.00 47.66 C ATOM 5719 O GLU A 364 −2.524 −1.783 10.362 1.00 47.48 O ATOM 5720 N PHE A 365 −1.799 0.259 10.884 1.00 41.55 N ATOM 5722 CA PHE A 365 −2.309 0.801 9.651 1.00 44.15 C ATOM 5724 CB PHE A 365 −2.603 2.213 9.951 1.00 42.84 C ATOM 5727 CG PHE A 365 −3.640 2.376 10.974 1.00 42.11 C ATOM 5728 CD1 PHE A 365 −3.391 3.047 12.126 1.00 43.74 C ATOM 5730 CE1 PHE A 365 −4.332 3.195 13.033 1.00 43.17 C ATOM 5732 CZ PHE A 365 −5.532 2.685 12.820 1.00 47.95 C ATOM 5734 CE2 PHE A 365 −5.793 2.006 11.673 1.00 50.59 C ATOM 5736 CD2 PHE A 365 −4.869 1.858 10.771 1.00 47.37 C ATOM 5738 C PHE A 365 −1.462 0.662 8.321 1.00 46.25 C ATOM 5739 O PHE A 365 −2.031 0.487 7.227 1.00 49.35 O ATOM 5740 N ARG A 366 −0.143 0.745 8.428 1.00 42.85 N ATOM 5742 CA ARG A 366 0.796 0.645 7.309 1.00 41.91 C ATOM 5744 CB ARG A 366 1.398 1.997 6.985 1.00 40.96 C ATOM 5747 CG ARG A 366 0.536 2.993 6.424 1.00 40.90 C ATOM 5750 CD ARG A 366 1.341 4.073 5.811 1.00 40.88 C ATOM 5753 NE ARG A 366 1.839 4.979 6.843 1.00 40.97 N ATOM 5755 CZ ARG A 366 1.893 6.275 6.661 1.00 40.91 C ATOM 5756 NH1 ARG A 366 1.476 6.743 5.493 1.00 36.36 N ATOM 5759 NH2 ARG A 366 2.346 7.096 7.609 1.00 40.33 N ATOM 5762 C ARG A 366 2.061 −0.090 7.758 1.00 41.93 C ATOM 5763 O ARG A 366 2.491 0.129 8.894 1.00 41.59 O ATOM 5764 N THR A 367 2.677 −0.865 6.847 1.00 37.72 N ATOM 5766 CA THR A 367 3.839 −1.681 7.138 1.00 33.65 C ATOM 5768 CB THR A 367 3.469 −3.107 7.143 1.00 42.32 C ATOM 5770 OG1 THR A 367 4.646 −3.854 6.891 1.00 43.84 O ATOM 5772 CG2 THR A 367 2.528 −3.460 5.969 1.00 43.37 C ATOM 5776 C THR A 367 4.827 −1.507 6.066 1.00 32.72 C ATOM 5777 O THR A 367 4.465 −1.157 4.970 1.00 34.98 O ATOM 5778 N ALA A 368 6.110 −1.702 6.359 1.00 39.92 N ATOM 5780 CA ALA A 368 7.135 −1.504 5.307 1.00 40.50 C ATOM 5782 CB ALA A 368 8.485 −1.608 5.870 1.00 38.72 C ATOM 5786 C ALA A 368 6.910 −2.529 4.180 1.00 43.33 C ATOM 5787 O ALA A 368 6.181 −3.498 4.382 1.00 47.27 O ATOM 5788 N ALA A 369 7.494 −2.369 2.998 1.00 41.85 N ATOM 5790 CA ALA A 369 7.115 −3.346 1.966 1.00 38.56 C ATOM 5792 CB ALA A 369 5.832 −2.891 1.277 1.00 40.40 C ATOM 5796 C ALA A 369 8.162 −3.635 0.928 1.00 29.85 C ATOM 5797 O ALA A 369 9.095 −2.854 0.730 1.00 36.35 O ATOM 5798 N VAL A 370 7.966 −4.769 0.274 1.00 25.96 N ATOM 5800 CA VAL A 370 8.831 −5.260 −0.769 1.00 29.57 C ATOM 5802 CB VAL A 370 9.849 −6.185 −0.229 1.00 26.20 C ATOM 5804 CG1 VAL A 370 10.757 −6.632 −1.321 1.00 32.44 C ATOM 5808 CG2 VAL A 370 10.689 −5.482 0.827 1.00 30.95 C ATOM 5812 C VAL A 370 7.929 −5.941 −1.796 1.00 31.92 C ATOM 5813 O VAL A 370 7.225 −6.866 −1.490 1.00 36.53 O ATOM 5814 N GLU A 371 7.945 −5.452 −3.029 1.00 33.29 N ATOM 5816 CA GLU A 371 6.979 −5.876 −3.989 1.00 28.61 C ATOM 5818 CB GLU A 371 5.769 −4.939 −3.899 1.00 32.04 C ATOM 5821 CG GLU A 371 5.266 −4.723 −2.470 1.00 38.80 C ATOM 5824 CD GLU A 371 4.374 −3.505 −2.287 1.00 44.41 C ATOM 5825 OE1 GLU A 371 3.119 −3.685 −2.230 1.00 55.91 O ATOM 5826 OE2 GLU A 371 4.919 −2.370 −2.177 1.00 45.34 O ATOM 5827 C GLU A 371 7.625 −5.792 −5.338 1.00 34.43 C ATOM 5828 O GLU A 371 8.335 −4.857 −5.587 1.00 31.86 O ATOM 5829 N GLY A 372 7.410 −6.797 −6.201 1.00 41.45 N ATOM 5831 CA GLY A 372 7.862 −6.730 −7.585 1.00 44.38 C ATOM 5834 C GLY A 372 7.151 −7.793 −8.402 1.00 49.60 C ATOM 5835 O GLY A 372 6.383 −8.580 −7.851 1.00 48.56 O ATOM 5836 N PRO A 373 7.383 −7.862 −9.709 1.00 50.59 N ATOM 5837 CA PRO A 373 8.248 −6.984 −10.495 1.00 49.61 C ATOM 5839 CB PRO A 373 8.726 −7.915 −11.588 1.00 51.13 C ATOM 5842 CG PRO A 373 7.732 −9.025 −11.666 1.00 50.04 C ATOM 5845 CD PRO A 373 6.799 −8.918 −10.531 1.00 50.00 C ATOM 5848 C PRO A 373 7.502 −5.877 −11.212 1.00 51.84 C ATOM 5849 O PRO A 373 6.324 −6.033 −11.428 1.00 59.43 O ATOM 5850 N PHE A 374 8.177 −4.797 −11.584 1.00 53.98 N ATOM 5852 CA PHE A 374 7.578 −3.700 −12.360 1.00 55.44 C ATOM 5854 CB PHE A 374 7.709 −2.369 −11.615 1.00 53.01 C ATOM 5857 CG PHE A 374 7.163 −2.396 −10.227 1.00 51.03 C ATOM 5858 CD1 PHE A 374 7.959 −2.743 −9.179 1.00 47.22 C ATOM 5860 CE1 PHE A 374 7.448 −2.766 −7.895 1.00 52.78 C ATOM 5862 CZ PHE A 374 6.132 −2.437 −7.669 1.00 52.67 C ATOM 5864 CE2 PHE A 374 5.326 −2.083 −8.737 1.00 49.05 C ATOM 5866 CD2 PHE A 374 5.840 −2.063 −9.987 1.00 49.61 C ATOM 5868 C PHE A 374 8.342 −3.543 −13.656 1.00 57.87 C ATOM 5869 O PHE A 374 9.536 −3.729 −13.651 1.00 59.75 O ATOM 5870 N VAL A 375 7.692 −3.183 −14.762 1.00 68.38 N ATOM 5872 CA VAL A 375 8.440 −3.007 −16.020 1.00 72.14 C ATOM 5874 CB VAL A 375 7.752 −3.656 −17.217 1.00 73.03 C ATOM 5876 CG1 VAL A 375 8.601 −3.444 −18.453 1.00 71.54 C ATOM 5880 CG2 VAL A 375 7.514 −5.160 −16.966 1.00 72.18 C ATOM 5884 C VAL A 375 8.757 −1.541 −16.347 1.00 76.96 C ATOM 5885 O VAL A 375 7.909 −0.792 −16.840 1.00 79.60 O ATOM 5886 N THR A 376 10.008 −1.161 −16.073 1.00 85.14 N ATOM 5888 CA THR A 376 10.529 0.219 −16.248 1.00 88.23 C ATOM 5890 CB THR A 376 11.255 0.740 −14.901 1.00 89.17 C ATOM 5892 OG1 THR A 376 11.057 −0.171 −13.804 1.00 90.48 O ATOM 5894 CG2 THR A 376 10.674 1.992 −14.352 1.00 86.17 C ATOM 5898 C THR A 376 11.560 0.063 −17.389 1.00 88.70 C ATOM 5899 O THR A 376 11.864 −1.086 −17.791 1.00 87.38 O ATOM 5900 N LEU A 377 12.114 1.155 −17.922 1.00 87.83 N ATOM 5902 CA LEU A 377 13.111 0.969 −18.996 1.00 88.50 C ATOM 5904 CB LEU A 377 12.510 1.234 −20.409 1.00 90.35 C ATOM 5907 CG LEU A 377 11.904 0.243 −21.438 1.00 89.96 C ATOM 5909 CD1 LEU A 377 12.034 0.935 −22.783 1.00 89.80 C ATOM 5913 CD2 LEU A 377 12.520 −1.159 −21.579 1.00 90.81 C ATOM 5917 C LEU A 377 14.475 1.712 −18.873 1.00 89.75 C ATOM 5918 O LEU A 377 14.792 2.450 −17.889 1.00 82.52 O ATOM 5919 N ASP A 378 15.258 1.480 −19.937 1.00 92.45 N ATOM 5921 CA ASP A 378 16.640 1.894 −20.006 1.00 95.71 C ATOM 5923 CB ASP A 378 17.018 2.767 −21.238 1.00 98.28 C ATOM 5926 CG ASP A 378 17.513 1.894 −22.480 1.00 102.00 C ATOM 5927 OD1 ASP A 378 17.062 2.143 −23.628 1.00 101.56 O ATOM 5928 OD2 ASP A 378 18.342 0.937 −22.402 1.00 102.38 O ATOM 5929 C ASP A 378 16.922 2.405 −18.610 1.00 94.33 C ATOM 5930 O ASP A 378 17.057 3.589 −18.295 1.00 96.66 O ATOM 5931 N MET A 379 16.945 1.359 −17.798 1.00 91.54 N ATOM 5933 CA MET A 379 17.353 1.328 −16.436 1.00 87.87 C ATOM 5935 CB MET A 379 16.910 −0.019 −15.863 1.00 83.99 C ATOM 5938 CG MET A 379 15.410 −0.082 −15.499 1.00 78.36 C ATOM 5941 SD MET A 379 15.163 −1.374 −14.259 1.00 66.38 S ATOM 5942 CE MET A 379 15.285 −2.746 −15.258 1.00 67.19 C ATOM 5946 C MET A 379 18.885 1.495 −16.353 1.00 89.93 C ATOM 5947 O MET A 379 19.336 2.602 −15.998 1.00 89.20 O ATOM 5948 N GLU A 380 19.666 0.432 −16.667 1.00 90.93 N ATOM 5950 CA GLU A 380 21.180 0.455 −16.602 1.00 93.24 C ATOM 5952 CB GLU A 380 21.820 −0.615 −17.575 1.00 92.65 C ATOM 5955 CG GLU A 380 23.205 −1.231 −17.244 1.00 91.21 C ATOM 5958 CD GLU A 380 23.355 −1.819 −15.836 1.00 93.45 C ATOM 5959 OE1 GLU A 380 23.037 −3.027 −15.615 1.00 84.68 O ATOM 5960 OE2 GLU A 380 23.811 −1.058 −14.941 1.00 94.42 O ATOM 5961 C GLU A 380 21.762 1.922 −16.785 1.00 93.77 C ATOM 5962 O GLU A 380 22.744 2.305 −16.108 1.00 94.04 O ATOM 5963 N ASP A 381 21.142 2.717 −17.684 1.00 92.40 N ATOM 5965 CA ASP A 381 21.428 4.156 −17.845 1.00 89.14 C ATOM 5967 CB ASP A 381 20.206 4.883 −18.410 1.00 90.34 C ATOM 5970 CG ASP A 381 19.817 4.397 −19.774 1.00 96.59 C ATOM 5971 OD1 ASP A 381 20.728 4.002 −20.536 1.00 101.01 O ATOM 5972 OD2 ASP A 381 18.627 4.380 −20.175 1.00 96.62 O ATOM 5973 C ASP A 381 21.691 4.860 −16.531 1.00 83.94 C ATOM 5974 O ASP A 381 22.594 5.688 −16.416 1.00 87.02 O ATOM 5975 N CYS A 382 20.883 4.521 −15.540 1.00 74.79 N ATOM 5977 CA CYS A 382 20.891 5.209 −14.273 1.00 66.78 C ATOM 5979 CB CYS A 382 19.874 4.543 −13.367 1.00 67.02 C ATOM 5982 SG CYS A 382 18.314 4.339 −14.255 1.00 65.45 S ATOM 5983 C CYS A 382 22.273 5.125 −13.730 1.00 62.15 C ATOM 5984 O CYS A 382 22.585 5.663 −12.700 1.00 59.92 O ATOM 5985 N GLY A 383 23.123 4.433 −14.447 1.00 61.83 N ATOM 5987 CA GLY A 383 24.478 4.336 −14.011 1.00 66.26 C ATOM 5990 C GLY A 383 25.143 5.670 −14.225 1.00 69.13 C ATOM 5991 O GLY A 383 25.005 6.281 −15.266 1.00 70.50 O ATOM 5992 N TYR A 384 25.854 6.144 −13.226 1.00 73.69 N ATOM 5994 CA TYR A 384 26.709 7.277 −13.454 1.00 77.96 C ATOM 5996 CB TYR A 384 26.793 8.188 −12.245 1.00 81.61 C ATOM 5999 CG TYR A 384 28.007 9.089 −12.283 1.00 85.12 C ATOM 6000 CD1 TYR A 384 27.941 10.364 −12.854 1.00 88.82 C ATOM 6002 CE1 TYR A 384 29.048 11.194 −12.893 1.00 87.19 C ATOM 6004 CZ TYR A 384 30.239 10.752 −12.358 1.00 90.20 C ATOM 6005 OH TYR A 384 31.364 11.553 −12.375 1.00 89.10 O ATOM 6007 CE2 TYR A 384 30.320 9.490 −11.790 1.00 90.57 C ATOM 6009 CD2 TYR A 384 29.208 8.670 −11.757 1.00 84.83 C ATOM 6011 C TYR A 384 28.056 6.649 −13.746 1.00 77.71 C ATOM 6012 O TYR A 384 28.429 5.664 −13.131 1.00 75.56 O ATOM 6013 N ASN A 385 28.780 7.220 −14.691 1.00 80.96 N ATOM 6015 CA ASN A 385 30.051 6.662 −15.125 1.00 82.76 C ATOM 6017 CB ASN A 385 29.941 6.194 −16.592 1.00 84.72 C ATOM 6020 CG ASN A 385 29.453 4.740 −16.736 1.00 87.65 C ATOM 6021 OD1 ASN A 385 30.172 3.790 −16.404 1.00 85.93 O ATOM 6022 ND2 ASN A 385 28.236 4.570 −17.258 1.00 88.07 N ATOM 6025 C ASN A 385 31.164 7.705 −14.990 1.00 83.09 C ATOM 6026 O ASN A 385 30.936 8.930 −14.965 1.00 81.57 O ATOM 6027 OXT ASN A 385 32.333 7.337 −14.908 1.00 82.17 O ATOM 6028 N SER B −2 27.206 72.118 43.679 1.00 55.48 N ATOM 6030 CA SER B −2 27.761 73.467 43.412 1.00 51.63 C ATOM 6032 CB SER B −2 29.098 73.250 42.712 1.00 52.68 C ATOM 6035 OG SER B −2 29.217 71.863 42.380 1.00 49.83 O ATOM 6037 C SER B −2 26.787 74.421 42.623 1.00 54.62 C ATOM 6038 O SER B −2 26.955 75.629 42.639 1.00 56.38 O ATOM 6041 N PHE B −1 25.784 73.900 41.916 1.00 57.53 N ATOM 6043 CA PHE B −1 24.690 74.760 41.393 1.00 57.72 C ATOM 6045 CB PHE B −1 24.532 74.456 39.920 1.00 56.01 C ATOM 6048 CG PHE B −1 25.795 74.655 39.141 1.00 51.92 C ATOM 6049 CD1 PHE B −1 26.898 73.854 39.389 1.00 50.49 C ATOM 6051 CE1 PHE B −1 28.085 74.025 38.686 1.00 55.85 C ATOM 6053 CZ PHE B −1 28.179 75.017 37.725 1.00 54.01 C ATOM 6055 CE2 PHE B −1 27.077 75.840 37.470 1.00 55.50 C ATOM 6057 CD2 PHE B −1 25.888 75.657 38.182 1.00 50.57 C ATOM 6059 C PHE B −1 23.294 74.634 42.061 1.00 61.06 C ATOM 6060 O PHE B −1 22.332 74.340 41.364 1.00 68.12 O ATOM 6061 N VAL B 0 23.176 74.848 43.380 1.00 62.33 N ATOM 6063 CA VAL B 0 21.896 74.751 44.116 1.00 58.16 C ATOM 6065 CB VAL B 0 21.965 75.382 45.528 1.00 61.92 C ATOM 6067 CG1 VAL B 0 22.579 74.434 46.564 1.00 61.26 C ATOM 6071 CG2 VAL B 0 22.697 76.717 45.480 1.00 64.85 C ATOM 6075 C VAL B 0 20.728 75.507 43.571 1.00 59.05 C ATOM 6076 O VAL B 0 19.588 75.100 43.748 1.00 64.61 O ATOM 6077 N GLU B 1 20.973 76.632 42.925 1.00 61.72 N ATOM 6079 CA GLU B 1 19.857 77.434 42.461 1.00 57.96 C ATOM 6081 CB GLU B 1 20.322 78.617 41.603 1.00 57.40 C ATOM 6084 CG GLU B 1 21.725 79.136 41.914 1.00 58.84 C ATOM 6087 CD GLU B 1 22.786 78.540 41.002 1.00 60.23 C ATOM 6088 OE1 GLU B 1 22.369 77.908 40.015 1.00 67.79 O ATOM 6089 OE2 GLU B 1 24.023 78.696 41.244 1.00 55.89 O ATOM 6090 C GLU B 1 19.026 76.490 41.626 1.00 57.15 C ATOM 6091 O GLU B 1 17.785 76.566 41.632 1.00 51.98 O ATOM 6092 N MET B 2 19.747 75.587 40.937 1.00 51.73 N ATOM 6094 CA MET B 2 19.194 74.706 39.908 1.00 53.66 C ATOM 6096 CB MET B 2 20.186 74.649 38.749 1.00 53.83 C ATOM 6099 CG MET B 2 20.424 76.043 38.232 1.00 54.04 C ATOM 6102 SD MET B 2 21.390 76.126 36.827 1.00 61.26 S ATOM 6103 CE MET B 2 22.774 75.563 37.449 1.00 61.16 C ATOM 6107 C MET B 2 18.775 73.312 40.298 1.00 53.70 C ATOM 6108 O MET B 2 17.937 72.707 39.652 1.00 60.40 O ATOM 6109 N VAL B 3 19.344 72.792 41.355 1.00 55.79 N ATOM 6111 CA VAL B 3 18.997 71.464 41.806 1.00 54.02 C ATOM 6113 CB VAL B 3 19.858 71.128 43.026 1.00 55.97 C ATOM 6115 CG1 VAL B 3 19.458 69.812 43.622 1.00 56.80 C ATOM 6119 CG2 VAL B 3 21.330 71.152 42.649 1.00 57.96 C ATOM 6123 C VAL B 3 17.517 71.392 42.216 1.00 52.70 C ATOM 6124 O VAL B 3 16.984 72.320 42.812 1.00 54.10 O ATOM 6125 N ASP B 4 16.860 70.285 41.897 1.00 54.43 N ATOM 6127 CA ASP B 4 15.474 70.048 42.309 1.00 58.27 C ATOM 6129 CB ASP B 4 15.255 70.401 43.793 1.00 62.53 C ATOM 6132 CG ASP B 4 15.485 69.206 44.726 1.00 71.31 C ATOM 6133 OD1 ASP B 4 15.328 69.381 45.965 1.00 76.06 O ATOM 6134 OD2 ASP B 4 15.822 68.060 44.317 1.00 75.48 O ATOM 6135 C ASP B 4 14.543 70.851 41.443 1.00 53.53 C ATOM 6136 O ASP B 4 13.461 71.276 41.875 1.00 51.34 O ATOM 6137 N ASN B 5 14.978 71.054 40.209 1.00 50.18 N ATOM 6139 CA ASN B 5 14.233 71.893 39.290 1.00 44.49 C ATOM 6141 CB ASN B 5 15.122 72.909 38.651 1.00 42.71 C ATOM 6144 CG ASN B 5 16.020 72.302 37.633 1.00 48.45 C ATOM 6145 OD1 ASN B 5 15.983 71.073 37.445 1.00 41.96 O ATOM 6146 ND2 ASN B 5 16.850 73.156 36.946 1.00 38.24 N ATOM 6149 C ASN B 5 13.525 71.157 38.209 1.00 42.49 C ATOM 6150 O ASN B 5 12.928 71.804 37.403 1.00 52.24 O ATOM 6151 N LEU B 6 13.559 69.826 38.171 1.00 42.05 N ATOM 6153 CA LEU B 6 12.673 69.114 37.261 1.00 39.02 C ATOM 6155 CB LEU B 6 13.329 67.894 36.675 1.00 35.91 C ATOM 6158 CG LEU B 6 14.619 68.130 35.905 1.00 35.63 C ATOM 6160 CD1 LEU B 6 15.044 66.856 35.207 1.00 35.19 C ATOM 6164 CD2 LEU B 6 14.462 69.193 34.893 1.00 29.54 C ATOM 6168 C LEU B 6 11.446 68.653 37.996 1.00 42.53 C ATOM 6169 O LEU B 6 11.394 68.726 39.205 1.00 53.16 O ATOM 6170 N ARG B 7 10.436 68.228 37.245 1.00 42.75 N ATOM 6172 CA ARG B 7 9.325 67.471 37.771 1.00 38.99 C ATOM 6174 CB ARG B 7 8.103 68.326 37.963 1.00 41.20 C ATOM 6177 CG ARG B 7 8.306 69.383 39.081 1.00 48.07 C ATOM 6180 CD ARG B 7 7.066 70.215 39.470 1.00 48.13 C ATOM 6183 NE ARG B 7 6.508 70.882 38.289 1.00 63.74 N ATOM 6185 CZ ARG B 7 5.417 71.659 38.262 1.00 67.03 C ATOM 6186 NH1 ARG B 7 4.720 71.907 39.367 1.00 73.42 N ATOM 6189 NH2 ARG B 7 5.021 72.192 37.118 1.00 66.22 N ATOM 6192 C ARG B 7 9.095 66.395 36.744 1.00 41.31 C ATOM 6193 O ARG B 7 9.743 66.393 35.697 1.00 42.80 O ATOM 6194 N GLY B 8 8.213 65.451 37.037 1.00 44.24 N ATOM 6196 CA GLY B 8 7.775 64.510 36.017 1.00 44.58 C ATOM 6199 C GLY B 8 8.126 63.080 36.314 1.00 52.57 C ATOM 6200 O GLY B 8 8.464 62.734 37.457 1.00 54.12 O ATOM 6201 N LYS B 9 8.059 62.251 35.270 1.00 55.79 N ATOM 6203 CA LYS B 9 8.331 60.829 35.404 1.00 58.69 C ATOM 6205 CB LYS B 9 7.136 60.163 36.102 1.00 63.35 C ATOM 6208 CG LYS B 9 5.746 60.383 35.457 1.00 64.18 C ATOM 6211 CD LYS B 9 4.812 59.234 35.916 1.00 65.46 C ATOM 6214 CE LYS B 9 3.321 59.481 35.622 1.00 64.84 C ATOM 6217 NZ LYS B 9 2.630 60.116 36.794 1.00 61.17 N ATOM 6221 C LYS B 9 8.661 60.089 34.086 1.00 59.28 C ATOM 6222 O LYS B 9 8.631 60.659 32.990 1.00 57.59 O ATOM 6223 N SER B 10 8.974 58.805 34.211 1.00 58.73 N ATOM 6225 CA SER B 10 9.357 57.968 33.073 1.00 61.81 C ATOM 6227 CB SER B 10 9.764 56.630 33.631 1.00 62.78 C ATOM 6230 OG SER B 10 8.858 56.310 34.679 1.00 64.36 O ATOM 6232 C SER B 10 8.256 57.723 32.029 1.00 62.89 C ATOM 6233 O SER B 10 8.509 57.692 30.820 1.00 63.54 O ATOM 6234 N GLY B 11 7.034 57.522 32.497 1.00 60.46 N ATOM 6236 CA GLY B 11 5.913 57.328 31.607 1.00 57.59 C ATOM 6239 C GLY B 11 5.615 58.594 30.850 1.00 56.83 C ATOM 6240 O GLY B 11 5.172 58.582 29.710 1.00 59.77 O ATOM 6241 N GLN B 12 5.855 59.731 31.456 1.00 57.32 N ATOM 6243 CA GLN B 12 5.495 60.920 30.714 1.00 58.21 C ATOM 6245 CB GLN B 12 4.324 61.552 31.404 1.00 60.77 C ATOM 6248 CG GLN B 12 3.241 60.485 31.587 1.00 61.87 C ATOM 6251 CD GLN B 12 1.931 61.070 31.972 1.00 63.35 C ATOM 6252 OE1 GLN B 12 1.866 61.968 32.838 1.00 64.47 O ATOM 6253 NE2 GLN B 12 0.862 60.578 31.346 1.00 65.23 N ATOM 6256 C GLN B 12 6.566 61.922 30.368 1.00 57.52 C ATOM 6257 O GLN B 12 6.322 62.740 29.514 1.00 55.14 O ATOM 6258 N GLY B 13 7.747 61.848 30.973 1.00 55.44 N ATOM 6260 CA GLY B 13 8.778 62.837 30.689 1.00 52.72 C ATOM 6263 C GLY B 13 9.039 63.777 31.852 1.00 51.10 C ATOM 6264 O GLY B 13 8.229 63.885 32.783 1.00 47.37 O ATOM 6265 N TYR B 14 10.180 64.450 31.775 1.00 47.23 N ATOM 6267 CA TYR B 14 10.685 65.341 32.818 1.00 48.86 C ATOM 6269 CB TYR B 14 12.079 64.874 33.266 1.00 47.74 C ATOM 6272 CG TYR B 14 12.061 63.570 34.037 1.00 45.03 C ATOM 6273 CD1 TYR B 14 12.346 62.368 33.443 1.00 45.11 C ATOM 6275 CE1 TYR B 14 12.314 61.184 34.204 1.00 44.50 C ATOM 6277 CZ TYR B 14 11.978 61.258 35.556 1.00 45.22 C ATOM 6278 OH TYR B 14 11.908 60.155 36.388 1.00 45.51 O ATOM 6280 CE2 TYR B 14 11.702 62.446 36.117 1.00 37.21 C ATOM 6282 CD2 TYR B 14 11.741 63.566 35.378 1.00 43.77 C ATOM 6284 C TYR B 14 10.776 66.739 32.217 1.00 49.55 C ATOM 6285 O TYR B 14 11.293 66.888 31.111 1.00 52.45 O ATOM 6286 N TYR B 15 10.286 67.759 32.924 1.00 45.83 N ATOM 6288 CA TYR B 15 10.233 69.079 32.339 1.00 39.66 C ATOM 6290 CB TYR B 15 8.817 69.345 31.844 1.00 39.42 C ATOM 6293 CG TYR B 15 7.835 69.394 32.978 1.00 40.57 C ATOM 6294 CD1 TYR B 15 7.743 70.510 33.798 1.00 43.59 C ATOM 6296 CE1 TYR B 15 6.869 70.561 34.824 1.00 34.88 C ATOM 6298 CZ TYR B 15 6.065 69.496 35.062 1.00 37.24 C ATOM 6299 OH TYR B 15 5.168 69.511 36.110 1.00 47.03 O ATOM 6301 CE2 TYR B 15 6.130 68.390 34.273 1.00 41.16 C ATOM 6303 CD2 TYR B 15 7.008 68.340 33.240 1.00 42.00 C ATOM 6305 C TYR B 15 10.686 70.194 33.276 1.00 40.31 C ATOM 6306 O TYR B 15 10.679 70.062 34.478 1.00 37.96 O ATOM 6307 N VAL B 16 11.069 71.312 32.676 1.00 43.44 N ATOM 6309 CA VAL B 16 11.673 72.427 33.369 1.00 42.50 C ATOM 6311 CB VAL B 16 13.141 72.669 32.925 1.00 40.97 C ATOM 6313 CG1 VAL B 16 13.240 73.090 31.465 1.00 36.56 C ATOM 6317 CG2 VAL B 16 13.724 73.752 33.699 1.00 45.84 C ATOM 6321 C VAL B 16 10.836 73.605 32.964 1.00 46.17 C ATOM 6322 O VAL B 16 10.405 73.700 31.818 1.00 44.78 O ATOM 6323 N GLU B 17 10.609 74.497 33.910 1.00 47.27 N ATOM 6325 CA GLU B 17 9.788 75.649 33.701 1.00 48.45 C ATOM 6327 CB GLU B 17 9.314 76.118 35.056 1.00 50.22 C ATOM 6330 CG GLU B 17 8.748 77.518 35.050 1.00 49.63 C ATOM 6333 CD GLU B 17 8.451 78.008 36.443 1.00 52.98 C ATOM 6334 OE1 GLU B 17 7.420 77.598 37.020 1.00 56.17 O ATOM 6335 OE2 GLU B 17 9.251 78.812 36.957 1.00 62.26 O ATOM 6336 C GLU B 17 10.587 76.771 33.070 1.00 49.62 C ATOM 6337 O GLU B 17 11.605 77.156 33.603 1.00 58.28 O ATOM 6338 N MET B 18 10.130 77.308 31.949 1.00 52.00 N ATOM 6340 CA MET B 18 10.821 78.430 31.301 1.00 52.60 C ATOM 6342 CB MET B 18 11.435 77.960 29.976 1.00 52.70 C ATOM 6345 CG MET B 18 12.598 77.016 30.128 1.00 55.57 C ATOM 6348 SD MET B 18 13.010 76.172 28.583 1.00 59.46 S ATOM 6349 CE MET B 18 14.275 77.236 27.930 1.00 52.14 C ATOM 6353 C MET B 18 9.874 79.625 31.035 1.00 50.66 C ATOM 6354 O MET B 18 8.647 79.496 31.067 1.00 49.38 O ATOM 6355 N THR B 19 10.452 80.786 30.780 1.00 49.10 N ATOM 6357 CA THR B 19 9.650 81.918 30.382 1.00 51.16 C ATOM 6359 CB THR B 19 9.716 83.092 31.355 1.00 50.92 C ATOM 6361 OG1 THR B 19 10.956 83.832 31.217 1.00 46.48 O ATOM 6363 CG2 THR B 19 9.658 82.591 32.767 1.00 52.58 C ATOM 6367 C THR B 19 10.084 82.426 29.041 1.00 55.56 C ATOM 6368 O THR B 19 11.269 82.597 28.768 1.00 55.44 O ATOM 6369 N VAL B 20 9.090 82.685 28.214 1.00 57.24 N ATOM 6371 CA VAL B 20 9.307 83.161 26.880 1.00 54.55 C ATOM 6373 CB VAL B 20 8.940 82.067 25.827 1.00 54.27 C ATOM 6375 CG1 VAL B 20 9.851 80.829 25.982 1.00 54.44 C ATOM 6379 CG2 VAL B 20 7.504 81.630 25.953 1.00 55.00 C ATOM 6383 C VAL B 20 8.377 84.325 26.771 1.00 55.62 C ATOM 6384 O VAL B 20 7.234 84.209 27.224 1.00 55.85 O ATOM 6385 N GLY B 21 8.875 85.444 26.223 1.00 56.40 N ATOM 6387 CA GLY B 21 8.066 86.620 25.916 1.00 54.12 C ATOM 6390 C GLY B 21 8.292 87.912 26.694 1.00 52.80 C ATOM 6391 O GLY B 21 8.913 87.910 27.737 1.00 45.49 O ATOM 6392 N SER B 22 7.772 89.020 26.147 1.00 52.16 N ATOM 6394 CA SER B 22 7.729 90.308 26.811 1.00 45.94 C ATOM 6396 CB SER B 22 8.740 91.218 26.200 1.00 48.74 C ATOM 6399 OG SER B 22 10.028 90.606 26.262 1.00 58.03 O ATOM 6401 C SER B 22 6.328 90.918 26.679 1.00 51.64 C ATOM 6402 O SER B 22 5.916 91.373 25.610 1.00 48.63 O ATOM 6403 N PRO B 23 5.587 90.895 27.784 1.00 51.99 N ATOM 6404 CA PRO B 23 6.088 90.276 29.019 1.00 51.30 C ATOM 6406 CB PRO B 23 4.902 90.437 29.964 1.00 54.52 C ATOM 6409 CG PRO B 23 3.759 90.424 29.043 1.00 50.06 C ATOM 6412 CD PRO B 23 4.226 91.436 27.979 1.00 49.63 C ATOM 6415 C PRO B 23 6.368 88.800 28.881 1.00 47.00 C ATOM 6416 O PRO B 23 5.860 88.229 27.944 1.00 48.90 O ATOM 6417 N PRO B 24 7.169 88.249 29.794 1.00 53.61 N ATOM 6418 CA PRO B 24 7.415 86.787 30.020 1.00 54.15 C ATOM 6420 CB PRO B 24 8.155 86.804 31.345 1.00 51.32 C ATOM 6423 CG PRO B 24 8.902 88.094 31.318 1.00 50.72 C ATOM 6426 CD PRO B 24 7.995 89.088 30.680 1.00 53.02 C ATOM 6429 C PRO B 24 6.260 85.781 30.261 1.00 55.63 C ATOM 6430 O PRO B 24 5.567 85.900 31.270 1.00 54.27 O ATOM 6431 N GLN B 25 6.097 84.775 29.392 1.00 57.58 N ATOM 6433 CA GLN B 25 5.025 83.775 29.524 1.00 56.58 C ATOM 6435 CB GLN B 25 4.404 83.453 28.153 1.00 58.02 C ATOM 6438 CG GLN B 25 3.196 84.297 27.785 1.00 61.35 C ATOM 6441 CD GLN B 25 2.729 84.086 26.353 1.00 63.09 C ATOM 6442 OE1 GLN B 25 2.293 82.981 25.990 1.00 69.50 O ATOM 6443 NE2 GLN B 25 2.802 85.135 25.543 1.00 54.51 N ATOM 6446 C GLN B 25 5.604 82.496 30.116 1.00 58.86 C ATOM 6447 O GLN B 25 6.574 81.987 29.559 1.00 57.53 O ATOM 6448 N THR B 26 5.036 82.000 31.228 1.00 52.25 N ATOM 6450 CA THR B 26 5.497 80.785 31.866 1.00 49.89 C ATOM 6452 CB THR B 26 5.043 80.761 33.304 1.00 51.53 C ATOM 6454 OG1 THR B 26 5.882 81.592 34.127 1.00 48.51 O ATOM 6456 CG2 THR B 26 5.233 79.353 33.886 1.00 49.37 C ATOM 6460 C THR B 26 4.970 79.505 31.224 1.00 51.74 C ATOM 6461 O THR B 26 3.772 79.321 31.123 1.00 55.36 O ATOM 6462 N LEU B 27 5.861 78.603 30.808 1.00 52.47 N ATOM 6464 CA LEU B 27 5.440 77.291 30.296 1.00 52.98 C ATOM 6466 CB LEU B 27 5.447 77.292 28.768 1.00 53.80 C ATOM 6469 CG LEU B 27 4.766 78.485 28.088 1.00 55.67 C ATOM 6471 CD1 LEU B 27 5.163 78.522 26.640 1.00 52.91 C ATOM 6475 CD2 LEU B 27 3.248 78.447 28.216 1.00 52.46 C ATOM 6479 C LEU B 27 6.344 76.152 30.825 1.00 54.38 C ATOM 6480 O LEU B 27 7.492 76.415 31.190 1.00 55.85 O ATOM 6481 N ASN B 28 5.809 74.922 30.863 1.00 51.66 N ATOM 6483 CA ASN B 28 6.518 73.711 31.292 1.00 55.85 C ATOM 6485 CB ASN B 28 5.526 72.700 31.940 1.00 58.80 C ATOM 6488 CG ASN B 28 5.260 72.950 33.449 1.00 57.89 C ATOM 6489 OD1 ASN B 28 4.145 72.685 33.961 1.00 43.49 O ATOM 6490 ND2 ASN B 28 6.273 73.440 34.152 1.00 52.67 N ATOM 6493 C ASN B 28 7.119 73.035 30.037 1.00 54.00 C ATOM 6494 O ASN B 28 6.411 72.858 29.040 1.00 55.20 O ATOM 6495 N ILE B 29 8.385 72.602 30.082 1.00 49.11 N ATOM 6497 CA ILE B 29 9.090 72.101 28.877 1.00 41.75 C ATOM 6499 CB ILE B 29 10.096 73.201 28.430 1.00 41.61 C ATOM 6501 CG1 ILE B 29 9.403 74.521 28.502 1.00 36.87 C ATOM 6504 CD1 ILE B 29 8.620 74.882 27.272 1.00 35.29 C ATOM 6508 CG2 ILE B 29 10.627 72.989 27.001 1.00 45.92 C ATOM 6512 C ILE B 29 9.834 70.738 29.020 1.00 41.21 C ATOM 6513 O ILE B 29 10.821 70.657 29.735 1.00 40.42 O ATOM 6514 N LEU B 30 9.363 69.679 28.344 1.00 40.94 N ATOM 6516 CA LEU B 30 10.056 68.371 28.308 1.00 42.00 C ATOM 6518 CB LEU B 30 9.450 67.507 27.215 1.00 41.64 C ATOM 6521 CG LEU B 30 9.943 66.065 27.050 1.00 41.51 C ATOM 6523 CD1 LEU B 30 8.966 65.054 27.427 1.00 38.45 C ATOM 6527 CD2 LEU B 30 10.258 65.805 25.617 1.00 51.30 C ATOM 6531 C LEU B 30 11.529 68.607 27.974 1.00 46.49 C ATOM 6532 O LEU B 30 11.849 69.519 27.220 1.00 47.11 O ATOM 6533 N VAL B 31 12.414 67.781 28.527 1.00 46.41 N ATOM 6535 CA VAL B 31 13.858 67.880 28.288 1.00 47.73 C ATOM 6537 CB VAL B 31 14.633 67.834 29.620 1.00 48.19 C ATOM 6539 CG1 VAL B 31 16.047 67.314 29.431 1.00 52.74 C ATOM 6543 CG2 VAL B 31 14.661 69.187 30.226 1.00 47.82 C ATOM 6547 C VAL B 31 14.251 66.709 27.422 1.00 49.66 C ATOM 6548 O VAL B 31 14.369 65.614 27.935 1.00 50.43 O ATOM 6549 N ASP B 32 14.488 66.937 26.122 1.00 50.95 N ATOM 6551 CA ASP B 32 14.599 65.825 25.165 1.00 50.66 C ATOM 6553 CB ASP B 32 13.547 66.011 24.085 1.00 46.26 C ATOM 6556 CG ASP B 32 13.417 64.802 23.209 1.00 46.83 C ATOM 6557 OD1 ASP B 32 12.601 63.952 23.614 1.00 57.65 O ATOM 6558 OD2 ASP B 32 14.037 64.597 22.118 1.00 28.18 O ATOM 6559 C ASP B 32 15.937 65.627 24.483 1.00 50.93 C ATOM 6560 O ASP B 32 16.137 66.095 23.372 1.00 56.78 O ATOM 6561 N THR B 33 16.854 64.901 25.091 1.00 44.66 N ATOM 6563 CA THR B 33 18.135 64.814 24.467 1.00 41.11 C ATOM 6565 CB THR B 33 19.151 64.207 25.419 1.00 44.39 C ATOM 6567 OG1 THR B 33 18.649 62.989 25.966 1.00 47.50 O ATOM 6569 CG2 THR B 33 19.298 65.077 26.643 1.00 45.76 C ATOM 6573 C THR B 33 18.075 64.056 23.159 1.00 43.39 C ATOM 6574 O THR B 33 19.101 63.882 22.521 1.00 45.31 O ATOM 6575 N GLY B 34 16.891 63.610 22.749 1.00 43.77 N ATOM 6577 CA GLY B 34 16.739 62.822 21.528 1.00 46.99 C ATOM 6580 C GLY B 34 16.380 63.629 20.282 1.00 49.16 C ATOM 6581 O GLY B 34 16.324 63.093 19.151 1.00 50.21 O ATOM 6582 N SER B 35 16.151 64.924 20.486 1.00 50.26 N ATOM 6584 CA SER B 35 15.776 65.838 19.394 1.00 47.28 C ATOM 6586 CB SER B 35 14.281 66.025 19.398 1.00 43.53 C ATOM 6589 OG SER B 35 13.916 66.661 20.582 1.00 41.18 O ATOM 6591 C SER B 35 16.491 67.207 19.504 1.00 43.05 C ATOM 6592 O SER B 35 17.273 67.446 20.440 1.00 43.12 O ATOM 6593 N SER B 36 16.238 68.094 18.549 1.00 37.14 N ATOM 6595 CA SER B 36 16.982 69.332 18.512 1.00 36.80 C ATOM 6597 CB SER B 36 18.137 69.180 17.502 1.00 40.35 C ATOM 6600 OG SER B 36 19.229 68.365 18.021 1.00 36.18 O ATOM 6602 C SER B 36 16.182 70.629 18.297 1.00 42.36 C ATOM 6603 O SER B 36 16.739 71.718 18.339 1.00 49.70 O ATOM 6604 N ASN B 37 14.879 70.560 18.107 1.00 45.23 N ATOM 6606 CA ASN B 37 14.135 71.783 17.906 1.00 44.85 C ATOM 6608 CB ASN B 37 13.080 71.617 16.845 1.00 43.43 C ATOM 6611 CG ASN B 37 13.659 71.592 15.492 1.00 49.01 C ATOM 6612 OD1 ASN B 37 14.303 70.615 15.126 1.00 53.37 O ATOM 6613 ND2 ASN B 37 13.450 72.678 14.715 1.00 47.23 N ATOM 6616 C ASN B 37 13.432 72.151 19.164 1.00 43.89 C ATOM 6617 O ASN B 37 12.955 71.279 19.843 1.00 48.92 O ATOM 6618 N PHE B 38 13.379 73.447 19.454 1.00 39.62 N ATOM 6620 CA PHE B 38 12.666 73.984 20.588 1.00 37.09 C ATOM 6622 CB PHE B 38 13.518 75.084 21.189 1.00 34.12 C ATOM 6625 CG PHE B 38 12.915 75.809 22.291 1.00 36.88 C ATOM 6626 CD1 PHE B 38 13.190 77.128 22.451 1.00 43.04 C ATOM 6628 CE1 PHE B 38 12.639 77.847 23.480 1.00 43.52 C ATOM 6630 CZ PHE B 38 11.810 77.261 24.366 1.00 45.02 C ATOM 6632 CE2 PHE B 38 11.519 75.950 24.235 1.00 51.64 C ATOM 6634 CD2 PHE B 38 12.082 75.213 23.185 1.00 52.30 C ATOM 6636 C PHE B 38 11.313 74.445 20.010 1.00 40.81 C ATOM 6637 O PHE B 38 11.241 75.206 19.018 1.00 42.46 O ATOM 6638 N ALA B 39 10.238 73.940 20.607 1.00 40.42 N ATOM 6640 CA ALA B 39 8.903 74.198 20.105 1.00 44.90 C ATOM 6642 CB ALA B 39 8.473 73.061 19.113 1.00 45.36 C ATOM 6646 C ALA B 39 7.889 74.308 21.212 1.00 41.28 C ATOM 6647 O ALA B 39 7.961 73.617 22.213 1.00 44.60 O ATOM 6648 N VAL B 40 6.929 75.177 21.046 1.00 40.49 N ATOM 6650 CA VAL B 40 5.885 75.186 22.027 1.00 49.83 C ATOM 6652 CB VAL B 40 6.020 76.354 22.997 1.00 49.55 C ATOM 6654 CG1 VAL B 40 7.345 76.332 23.631 1.00 46.17 C ATOM 6658 CG2 VAL B 40 5.830 77.657 22.280 1.00 54.69 C ATOM 6662 C VAL B 40 4.496 75.202 21.404 1.00 51.60 C ATOM 6663 O VAL B 40 4.209 75.904 20.435 1.00 56.20 O ATOM 6664 N GLY B 41 3.629 74.394 21.958 1.00 50.81 N ATOM 6666 CA GLY B 41 2.235 74.528 21.608 1.00 54.35 C ATOM 6669 C GLY B 41 1.861 76.000 21.658 1.00 54.27 C ATOM 6670 O GLY B 41 2.139 76.715 22.646 1.00 50.40 O ATOM 6671 N ALA B 42 1.208 76.439 20.585 1.00 55.45 N ATOM 6673 CA ALA B 42 0.864 77.840 20.394 1.00 57.72 C ATOM 6675 CB ALA B 42 1.661 78.375 19.208 1.00 61.49 C ATOM 6679 C ALA B 42 −0.620 78.089 20.158 1.00 59.93 C ATOM 6680 O ALA B 42 −1.041 79.239 19.956 1.00 54.51 O ATOM 6681 N ALA B 43 −1.422 77.028 20.205 1.00 59.25 N ATOM 6683 CA ALA B 43 −2.838 77.148 19.904 1.00 58.08 C ATOM 6685 CB ALA B 43 −3.069 76.951 18.403 1.00 57.09 C ATOM 6689 C ALA B 43 −3.577 76.084 20.669 1.00 57.28 C ATOM 6690 O ALA B 43 −3.047 75.011 20.869 1.00 57.71 O ATOM 6691 N PRO B 44 −4.809 76.358 21.067 1.00 58.13 N ATOM 6692 CA PRO B 44 −5.568 75.407 21.856 1.00 55.97 C ATOM 6694 CB PRO B 44 −7.009 75.819 21.550 1.00 57.92 C ATOM 6697 CG PRO B 44 −6.845 76.827 20.407 1.00 57.30 C ATOM 6700 CD PRO B 44 −5.628 77.554 20.804 1.00 57.17 C ATOM 6703 C PRO B 44 −5.339 74.012 21.388 1.00 55.26 C ATOM 6704 O PRO B 44 −5.058 73.798 20.199 1.00 55.54 O ATOM 6705 N HIS B 45 −5.458 73.083 22.330 1.00 51.68 N ATOM 6707 CA HIS B 45 −5.380 71.662 22.074 1.00 49.63 C ATOM 6709 CB HIS B 45 −3.960 71.199 21.920 1.00 47.73 C ATOM 6712 CG HIS B 45 −3.854 69.743 21.624 1.00 47.10 C ATOM 6713 ND1 HIS B 45 −3.661 68.805 22.613 1.00 47.83 N ATOM 6715 CE1 HIS B 45 −3.628 67.602 22.062 1.00 48.34 C ATOM 6717 NE2 HIS B 45 −3.798 67.728 20.755 1.00 39.59 N ATOM 6719 CD2 HIS B 45 −3.932 69.058 20.454 1.00 37.38 C ATOM 6721 C HIS B 45 −5.990 71.052 23.311 1.00 54.88 C ATOM 6722 O HIS B 45 −5.850 71.599 24.387 1.00 61.00 O ATOM 6723 N PRO B 46 −6.670 69.930 23.205 1.00 58.61 N ATOM 6724 CA PRO B 46 −7.391 69.427 24.372 1.00 58.25 C ATOM 6726 CB PRO B 46 −8.093 68.157 23.840 1.00 56.69 C ATOM 6729 CG PRO B 46 −8.000 68.181 22.353 1.00 55.11 C ATOM 6732 CD PRO B 46 −6.815 69.046 22.032 1.00 60.22 C ATOM 6735 C PRO B 46 −6.491 69.075 25.575 1.00 57.99 C ATOM 6736 O PRO B 46 −6.953 68.992 26.716 1.00 56.13 O ATOM 6737 N PHE B 47 −5.206 68.871 25.356 1.00 55.88 N ATOM 6739 CA PHE B 47 −4.396 68.376 26.470 1.00 51.81 C ATOM 6741 CB PHE B 47 −3.499 67.274 25.982 1.00 44.88 C ATOM 6744 CG PHE B 47 −4.234 66.044 25.604 1.00 46.77 C ATOM 6745 CD1 PHE B 47 −3.640 65.093 24.782 1.00 49.70 C ATOM 6747 CE1 PHE B 47 −4.315 63.949 24.429 1.00 48.35 C ATOM 6749 CZ PHE B 47 −5.596 63.746 24.901 1.00 43.45 C ATOM 6751 CE2 PHE B 47 −6.205 64.682 25.729 1.00 36.92 C ATOM 6753 CD2 PHE B 47 −5.530 65.822 26.070 1.00 43.75 C ATOM 6755 C PHE B 47 −3.532 69.385 27.152 1.00 53.07 C ATOM 6756 O PHE B 47 −2.763 69.015 28.046 1.00 56.38 O ATOM 6757 N LEU B 48 −3.661 70.647 26.760 1.00 48.06 N ATOM 6759 CA LEU B 48 −2.719 71.620 27.207 1.00 49.14 C ATOM 6761 CB LEU B 48 −2.107 72.333 26.014 1.00 50.40 C ATOM 6764 CG LEU B 48 −1.214 71.667 24.990 1.00 47.31 C ATOM 6766 CD1 LEU B 48 −1.252 72.578 23.755 1.00 47.58 C ATOM 6770 CD2 LEU B 48 −0.179 71.567 25.528 1.00 48.26 C ATOM 6774 C LEU B 48 −3.453 72.636 27.955 1.00 53.07 C ATOM 6775 O LEU B 48 −4.383 73.194 27.396 1.00 55.21 O ATOM 6776 N HIS B 49 −3.033 72.940 29.181 1.00 57.93 N ATOM 6778 CA HIS B 49 −3.757 73.897 30.015 1.00 56.76 C ATOM 6780 CB HIS B 49 −3.451 73.706 31.497 1.00 61.80 C ATOM 6783 CG HIS B 49 −4.070 72.466 32.048 1.00 67.51 C ATOM 6784 ND1 HIS B 49 −5.274 71.984 31.583 1.00 65.77 N ATOM 6786 CE1 HIS B 49 −5.579 70.872 32.226 1.00 68.88 C ATOM 6788 NE2 HIS B 49 −4.615 70.615 33.092 1.00 72.14 N ATOM 6790 CD2 HIS B 49 −3.654 71.596 32.999 1.00 70.39 C ATOM 6792 C HIS B 49 −3.484 75.276 29.617 1.00 55.32 C ATOM 6793 O HIS B 49 −4.365 76.100 29.747 1.00 54.19 O ATOM 6794 N ARG B 50 −2.278 75.563 29.139 1.00 57.08 N ATOM 6796 CA ARG B 50 −1.920 76.933 28.702 1.00 52.78 C ATOM 6798 CB ARG B 50 −1.133 77.660 29.796 1.00 48.76 C ATOM 6801 CG ARG B 50 −0.218 76.713 30.591 1.00 53.36 C ATOM 6804 CD ARG B 50 0.743 77.384 31.593 1.00 54.71 C ATOM 6807 NE ARG B 50 1.853 76.474 31.868 1.00 61.19 N ATOM 6809 CZ ARG B 50 2.737 76.603 32.838 1.00 59.08 C ATOM 6810 NH1 ARG B 50 2.693 77.609 33.688 1.00 60.26 N ATOM 6813 NH2 ARG B 50 3.681 75.703 32.952 1.00 66.01 N ATOM 6816 C ARG B 50 −1.078 76.790 27.438 1.00 54.68 C ATOM 6817 O ARG B 50 −0.699 75.669 27.081 1.00 57.99 O ATOM 6818 N TYR B 51 −0.791 77.896 26.746 1.00 55.14 N ATOM 6820 CA TYR B 51 0.040 77.836 25.534 1.00 51.39 C ATOM 6822 CB TYR B 51 −0.692 77.265 24.296 1.00 52.11 C ATOM 6825 CG TYR B 51 −1.939 77.986 23.819 1.00 50.59 C ATOM 6826 CD1 TYR B 51 −1.872 79.145 23.080 1.00 53.23 C ATOM 6828 CE1 TYR B 51 −3.007 79.776 22.659 1.00 54.06 C ATOM 6830 CZ TYR B 51 −4.238 79.243 22.977 1.00 56.68 C ATOM 6831 OH TYR B 51 −5.428 79.833 22.574 1.00 55.76 O ATOM 6833 CE2 TYR B 51 −4.311 78.099 23.699 1.00 56.57 C ATOM 6835 CD2 TYR B 51 −3.178 77.485 24.107 1.00 55.59 C ATOM 6837 C TYR B 51 0.654 79.155 25.198 1.00 49.19 C ATOM 6838 O TYR B 51 0.394 80.160 25.825 1.00 48.94 O ATOM 6839 N TYR B 52 1.503 79.151 24.193 1.00 47.59 N ATOM 6841 CA TYR B 52 2.182 80.378 23.852 1.00 50.52 C ATOM 6843 CB TYR B 52 3.496 80.019 23.199 1.00 44.85 C ATOM 6846 CG TYR B 52 4.382 81.161 22.853 1.00 43.08 C ATOM 6847 CD1 TYR B 52 4.498 82.273 23.656 1.00 45.53 C ATOM 6849 CE1 TYR B 52 5.355 83.314 23.297 1.00 43.96 C ATOM 6851 CZ TYR B 52 6.080 83.202 22.134 1.00 41.86 C ATOM 6852 OH TYR B 52 6.952 84.165 21.695 1.00 54.44 O ATOM 6854 CE2 TYR B 52 5.969 82.123 21.357 1.00 43.09 C ATOM 6856 CD2 TYR B 52 5.138 81.113 21.705 1.00 46.61 C ATOM 6858 C TYR B 52 1.327 81.241 22.914 1.00 53.39 C ATOM 6859 O TYR B 52 0.897 80.763 21.840 1.00 55.11 O ATOM 6860 N GLN B 53 1.066 82.488 23.312 1.00 49.66 N ATOM 6862 CA GLN B 53 0.350 83.402 22.424 1.00 53.39 C ATOM 6864 CB GLN B 53 −0.928 83.978 23.029 1.00 57.67 C ATOM 6867 CG GLN B 53 −1.673 83.154 24.073 1.00 58.49 C ATOM 6870 CD GLN B 53 −2.674 84.056 24.766 1.00 63.66 C ATOM 6871 OE1 GLN B 53 −2.341 84.707 25.784 1.00 62.18 O ATOM 6872 NE2 GLN B 53 −3.891 84.146 24.200 1.00 60.51 N ATOM 6875 C GLN B 53 1.254 84.569 21.988 1.00 54.38 C ATOM 6876 O GLN B 53 1.569 85.510 22.750 1.00 49.25 O ATOM 6877 N ARG B 54 1.657 84.494 20.735 1.00 50.22 N ATOM 6879 CA ARG B 54 2.547 85.458 20.202 1.00 45.95 C ATOM 6881 CB ARG B 54 2.907 85.045 18.778 1.00 45.10 C ATOM 6884 CG ARG B 54 3.655 83.672 18.783 1.00 39.53 C ATOM 6887 CD ARG B 54 3.679 82.890 17.474 1.00 42.75 C ATOM 6890 NE ARG B 54 2.387 82.353 17.079 1.00 47.37 N ATOM 6892 CZ ARG B 54 2.139 81.788 15.910 1.00 45.51 C ATOM 6893 NH1 ARG B 54 3.100 81.680 15.024 1.00 51.53 N ATOM 6896 NH2 ARG B 54 0.931 81.330 15.618 1.00 42.27 N ATOM 6899 C ARG B 54 1.939 86.836 20.386 1.00 52.82 C ATOM 6900 O ARG B 54 2.439 87.560 21.225 1.00 59.82 O ATOM 6901 N GLN B 55 0.855 87.196 19.686 1.00 57.85 N ATOM 6903 CA GLN B 55 0.303 88.572 19.736 1.00 57.16 C ATOM 6905 CB GLN B 55 −1.194 88.640 19.347 1.00 62.44 C ATOM 6908 CG GLN B 55 −1.469 88.563 17.810 1.00 70.53 C ATOM 6911 CD GLN B 55 −2.978 88.687 17.382 1.00 79.43 C ATOM 6912 OE1 GLN B 55 −3.369 89.660 16.701 1.00 80.66 O ATOM 6913 NE2 GLN B 55 −3.802 87.692 17.764 1.00 79.42 N ATOM 6916 C GLN B 55 0.533 89.312 21.058 1.00 57.92 C ATOM 6917 O GLN B 55 0.360 90.526 21.117 1.00 56.14 O ATOM 6918 N LEU B 56 0.930 88.622 22.121 1.00 55.89 N ATOM 6920 CA LEU B 56 1.213 89.336 23.370 1.00 58.18 C ATOM 6922 CB LEU B 56 0.712 88.524 24.540 1.00 60.42 C ATOM 6925 CG LEU B 56 −0.721 88.029 24.402 1.00 62.37 C ATOM 6927 CD1 LEU B 56 −1.296 87.699 25.797 1.00 63.41 C ATOM 6931 CD2 LEU B 56 −1.598 89.054 23.676 1.00 62.35 C ATOM 6935 C LEU B 56 2.666 89.723 23.690 1.00 60.41 C ATOM 6936 O LEU B 56 2.861 90.367 24.719 1.00 60.04 O ATOM 6937 N SER B 57 3.663 89.348 22.857 1.00 57.76 N ATOM 6939 CA SER B 57 5.071 89.701 23.116 1.00 54.64 C ATOM 6941 CB SER B 57 5.991 88.475 23.117 1.00 56.81 C ATOM 6944 OG SER B 57 7.344 88.844 23.423 1.00 54.08 O ATOM 6946 C SER B 57 5.661 90.710 22.153 1.00 53.95 C ATOM 6947 O SER B 57 5.658 90.533 20.942 1.00 55.46 O ATOM 6948 N SER B 58 6.218 91.755 22.738 1.00 52.39 N ATOM 6950 CA SER B 58 6.758 92.873 22.011 1.00 46.14 C ATOM 6952 CB SER B 58 6.820 94.070 22.947 1.00 47.29 C ATOM 6955 OG SER B 58 7.567 93.825 24.116 1.00 47.06 O ATOM 6957 C SER B 58 8.114 92.536 21.420 1.00 47.84 C ATOM 6958 O SER B 58 8.576 93.177 20.478 1.00 47.48 O ATOM 6959 N THR B 59 8.747 91.510 21.965 1.00 48.33 N ATOM 6961 CA THR B 59 10.006 91.008 21.429 1.00 42.92 C ATOM 6963 CB THR B 59 10.885 90.549 22.559 1.00 42.65 C ATOM 6965 OG1 THR B 59 10.128 89.795 23.523 1.00 49.24 O ATOM 6967 CG2 THR B 59 11.359 91.709 23.347 1.00 45.57 C ATOM 6971 C THR B 59 9.812 89.853 20.405 1.00 45.53 C ATOM 6972 O THR B 59 10.800 89.319 19.883 1.00 42.19 O ATOM 6973 N TYR B 60 8.566 89.465 20.113 1.00 44.25 N ATOM 6975 CA TYR B 60 8.312 88.440 19.089 1.00 42.52 C ATOM 6977 CB TYR B 60 6.854 88.060 19.079 1.00 42.61 C ATOM 6980 CG TYR B 60 6.444 87.188 17.912 1.00 39.56 C ATOM 6981 CD1 TYR B 60 6.853 85.902 17.825 1.00 39.91 C ATOM 6983 CE1 TYR B 60 6.478 85.088 16.766 1.00 37.80 C ATOM 6985 CZ TYR B 60 5.693 85.576 15.787 1.00 41.24 C ATOM 6986 OH TYR B 60 5.341 84.743 14.726 1.00 49.70 O ATOM 6988 CE2 TYR B 60 5.263 86.875 15.855 1.00 38.20 C ATOM 6990 CD2 TYR B 60 5.636 87.661 16.909 1.00 40.65 C ATOM 6992 C TYR B 60 8.593 88.944 17.691 1.00 47.70 C ATOM 6993 O TYR B 60 8.100 89.986 17.310 1.00 45.23 O ATOM 6994 N ARG B 61 9.376 88.195 16.913 1.00 53.11 N ATOM 6996 CA ARG B 61 9.536 88.482 15.488 1.00 47.96 C ATOM 6998 CB ARG B 61 10.866 89.084 15.173 1.00 48.51 C ATOM 7001 CG ARG B 61 11.328 90.014 16.186 1.00 47.51 C ATOM 7004 CD ARG B 61 12.777 90.163 16.129 1.00 46.49 C ATOM 7007 NE ARG B 61 13.175 91.480 16.568 1.00 53.97 N ATOM 7009 CZ ARG B 61 14.425 91.808 16.746 1.00 57.00 C ATOM 7010 NH1 ARG B 61 15.338 90.893 16.529 1.00 62.31 N ATOM 7013 NH2 ARG B 61 14.778 93.015 17.141 1.00 55.13 N ATOM 7016 C ARG B 61 9.346 87.181 14.730 1.00 48.27 C ATOM 7017 O ARG B 61 9.609 86.115 15.238 1.00 52.99 O ATOM 7018 N ASP B 62 8.910 87.304 13.496 1.00 44.77 N ATOM 7020 CA ASP B 62 8.336 86.217 12.776 1.00 46.62 C ATOM 7022 CB ASP B 62 6.934 86.722 12.384 1.00 49.17 C ATOM 7025 CG ASP B 62 6.177 85.815 11.468 1.00 53.87 C ATOM 7026 OD1 ASP B 62 6.754 84.805 11.004 1.00 55.89 O ATOM 7027 OD2 ASP B 62 4.965 86.076 11.152 1.00 54.79 O ATOM 7028 C ASP B 62 9.225 85.892 11.608 1.00 49.58 C ATOM 7029 O ASP B 62 9.620 86.763 10.849 1.00 55.62 O ATOM 7030 N LEU B 63 9.559 84.624 11.453 1.00 45.53 N ATOM 7032 CA LEU B 63 10.464 84.255 10.394 1.00 42.20 C ATOM 7034 CB LEU B 63 11.360 83.083 10.835 1.00 41.42 C ATOM 7037 CG LEU B 63 12.548 83.387 11.771 1.00 34.55 C ATOM 7039 CD1 LEU B 63 12.847 82.271 12.775 1.00 36.00 C ATOM 7043 CD2 LEU B 63 13.742 83.634 10.972 1.00 36.18 C ATOM 7047 C LEU B 63 9.736 83.913 9.112 1.00 45.11 C ATOM 7048 O LEU B 63 10.388 83.773 8.099 1.00 51.74 O ATOM 7049 N ARG B 64 8.407 83.778 9.132 1.00 45.09 N ATOM 7051 CA ARG B 64 7.627 83.437 7.918 1.00 45.81 C ATOM 7053 CB ARG B 64 7.621 84.590 6.932 1.00 42.03 C ATOM 7056 CG ARG B 64 8.317 85.837 7.448 1.00 48.52 C ATOM 7059 CD ARG B 64 7.647 87.151 7.097 1.00 42.44 C ATOM 7062 NE ARG B 64 8.116 87.704 5.832 1.00 45.11 N ATOM 7064 CZ ARG B 64 9.098 88.601 5.721 1.00 47.61 C ATOM 7065 NH1 ARG B 64 9.754 89.057 6.786 1.00 49.17 N ATOM 7068 NH2 ARG B 64 9.431 89.044 4.531 1.00 47.35 N ATOM 7071 C ARG B 64 8.161 82.208 7.176 1.00 48.40 C ATOM 7072 O ARG B 64 8.654 82.321 6.041 1.00 50.59 O ATOM 7073 N LYS B 65 8.050 81.058 7.832 1.00 44.70 N ATOM 7075 CA LYS B 65 8.589 79.783 7.378 1.00 42.44 C ATOM 7077 CB LYS B 65 10.110 79.799 7.680 1.00 42.17 C ATOM 7080 CG LYS B 65 11.080 78.794 6.970 1.00 46.99 C ATOM 7083 CD LYS B 65 12.568 78.665 7.710 1.00 41.67 C ATOM 7086 CE LYS B 65 13.207 80.010 8.378 1.00 31.79 C ATOM 7089 NZ LYS B 65 14.690 79.980 8.772 1.00 2.00 N ATOM 7093 C LYS B 65 7.817 78.802 8.271 1.00 40.97 C ATOM 7094 O LYS B 65 7.650 79.069 9.459 1.00 39.90 O ATOM 7095 N GLY B 66 7.299 77.707 7.711 1.00 45.11 N ATOM 7097 CA GLY B 66 6.632 76.656 8.487 1.00 37.19 C ATOM 7100 C GLY B 66 7.643 75.541 8.684 1.00 43.52 C ATOM 7101 O GLY B 66 8.638 75.469 7.970 1.00 43.64 O ATOM 7102 N VAL B 67 7.398 74.674 9.652 1.00 48.15 N ATOM 7104 CA VAL B 67 8.300 73.575 9.969 1.00 47.91 C ATOM 7106 CB VAL B 67 9.347 74.093 10.970 1.00 46.06 C ATOM 7108 CG1 VAL B 67 8.684 74.740 12.148 1.00 53.01 C ATOM 7112 CG2 VAL B 67 10.242 73.023 11.460 1.00 45.35 C ATOM 7116 C VAL B 67 7.531 72.375 10.546 1.00 48.93 C ATOM 7117 O VAL B 67 6.604 72.553 11.306 1.00 50.43 O ATOM 7118 N TYR B 68 7.920 71.159 10.173 1.00 54.33 N ATOM 7120 CA TYR B 68 7.307 69.912 10.681 1.00 54.23 C ATOM 7122 CB TYR B 68 6.674 69.180 9.496 1.00 58.61 C ATOM 7125 CG TYR B 68 6.194 67.743 9.740 1.00 62.41 C ATOM 7126 CD1 TYR B 68 5.151 67.465 10.624 1.00 65.98 C ATOM 7128 CE1 TYR B 68 4.709 66.183 10.833 1.00 65.58 C ATOM 7130 CZ TYR B 68 5.303 65.145 10.156 1.00 70.65 C ATOM 7131 OH TYR B 68 4.874 63.855 10.350 1.00 76.70 O ATOM 7133 CE2 TYR B 68 6.330 65.379 9.274 1.00 68.48 C ATOM 7135 CD2 TYR B 68 6.766 66.677 9.067 1.00 68.01 C ATOM 7137 C TYR B 68 8.354 68.969 11.289 1.00 52.15 C ATOM 7138 O TYR B 68 9.446 68.840 10.735 1.00 51.11 O ATOM 7139 N VAL B 69 8.028 68.308 12.407 1.00 48.81 N ATOM 7141 CA VAL B 69 8.931 67.350 13.043 1.00 41.24 C ATOM 7143 CB VAL B 69 9.433 67.888 14.381 1.00 46.72 C ATOM 7145 CG1 VAL B 69 10.525 66.959 14.976 1.00 50.12 C ATOM 7149 CG2 VAL B 69 9.951 69.297 14.276 1.00 44.49 C ATOM 7153 C VAL B 69 8.254 66.073 13.454 1.00 42.06 C ATOM 7154 O VAL B 69 7.427 66.130 14.335 1.00 49.53 O ATOM 7155 N PRO B 70 8.562 64.923 12.851 1.00 44.13 N ATOM 7156 CA PRO B 70 8.124 63.637 13.369 1.00 40.92 C ATOM 7158 CB PRO B 70 8.103 62.804 12.106 1.00 42.89 C ATOM 7161 CG PRO B 70 9.343 63.146 11.506 1.00 41.09 C ATOM 7164 CD PRO B 70 9.306 64.697 11.594 1.00 47.61 C ATOM 7167 C PRO B 70 9.149 62.940 14.268 1.00 49.11 C ATOM 7168 O PRO B 70 10.376 62.995 14.009 1.00 49.67 O ATOM 7169 N TYR B 71 8.645 62.251 15.290 1.00 50.47 N ATOM 7171 CA TYR B 71 9.476 61.426 16.149 1.00 53.44 C ATOM 7173 CB TYR B 71 9.170 61.786 17.587 1.00 53.95 C ATOM 7176 CG TYR B 71 9.281 63.268 17.848 1.00 54.07 C ATOM 7177 CD1 TYR B 71 10.380 63.799 18.509 1.00 54.07 C ATOM 7179 CE1 TYR B 71 10.474 65.154 18.746 1.00 54.76 C ATOM 7181 CZ TYR B 71 9.475 65.989 18.322 1.00 49.10 C ATOM 7182 OH TYR B 71 9.564 67.326 18.547 1.00 49.20 O ATOM 7184 CE2 TYR B 71 8.397 65.494 17.673 1.00 52.91 C ATOM 7186 CD2 TYR B 71 8.299 64.135 17.437 1.00 55.62 C ATOM 7188 C TYR B 71 9.220 59.920 15.888 1.00 57.24 C ATOM 7189 O TYR B 71 8.666 59.564 14.848 1.00 61.01 O ATOM 7190 N THR B 72 9.633 59.045 16.816 1.00 56.65 N ATOM 7192 CA THR B 72 9.338 57.601 16.757 1.00 49.69 C ATOM 7194 CB THR B 72 10.143 56.812 17.843 1.00 45.99 C ATOM 7196 OG1 THR B 72 11.515 56.708 17.485 1.00 41.99 O ATOM 7198 CG2 THR B 72 9.736 55.355 17.907 1.00 48.51 C ATOM 7202 C THR B 72 7.843 57.406 17.025 1.00 51.02 C ATOM 7203 O THR B 72 7.208 56.549 16.431 1.00 52.84 O ATOM 7204 N GLN B 73 7.303 58.198 17.946 1.00 48.27 N ATOM 7206 CA GLN B 73 5.875 58.203 18.263 1.00 48.31 C ATOM 7208 CB GLN B 73 5.581 57.409 19.545 1.00 51.35 C ATOM 7211 CG GLN B 73 5.749 55.888 19.423 1.00 56.02 C ATOM 7214 CD GLN B 73 4.857 55.255 18.344 1.00 61.90 C ATOM 7215 OE1 GLN B 73 3.792 55.792 16.018 1.00 68.29 O ATOM 7216 NE2 GLN B 73 5.295 54.124 17.783 1.00 62.95 N ATOM 7219 C GLN B 73 5.437 59.654 18.470 1.00 49.42 C ATOM 7220 O GLN B 73 5.747 60.278 19.508 1.00 46.54 O ATOM 7221 N GLY B 74 4.722 60.214 17.499 1.00 48.91 N ATOM 7223 CA GLY B 74 4.305 61.606 17.608 1.00 49.47 C ATOM 7226 C GLY B 74 4.933 62.541 16.584 1.00 50.49 C ATOM 7227 O GLY B 74 5.998 62.255 16.005 1.00 50.02 O ATOM 7228 N LYS B 75 4.266 63.674 16.375 1.00 50.53 N ATOM 7230 CA LYS B 75 4.660 64.627 15.342 1.00 52.28 C ATOM 7232 CB LYS B 75 4.490 63.974 13.978 1.00 54.30 C ATOM 7235 CG LYS B 75 3.047 63.970 13.545 1.00 57.04 C ATOM 7238 CD LYS B 75 2.877 63.711 12.065 1.00 62.75 C ATOM 7241 CE LYS B 75 3.286 62.309 11.659 1.00 69.74 C ATOM 7244 NZ LYS B 75 3.245 62.144 10.151 1.00 75.75 N ATOM 7248 C LYS B 75 3.767 65.863 15.374 1.00 48.92 C ATOM 7249 O LYS B 75 2.624 65.773 15.785 1.00 50.04 O ATOM 7250 N TRP B 76 4.288 67.005 14.939 1.00 47.21 N ATOM 7252 CA TRP B 76 3.529 68.264 14.876 1.00 45.93 C ATOM 7254 CB TRP B 76 3.623 69.023 16.212 1.00 44.91 C ATOM 7257 CG TRP B 76 5.006 69.104 16.657 1.00 44.21 C ATOM 7258 CD1 TRP B 76 5.635 68.312 17.578 1.00 48.52 C ATOM 7260 NE1 TRP B 76 6.950 68.697 17.720 1.00 44.12 N ATOM 7262 CE2 TRP B 76 7.190 69.744 16.878 1.00 40.53 C ATOM 7263 CD2 TRP B 76 5.985 70.027 16.194 1.00 46.96 C ATOM 7264 CE3 TRP B 76 5.967 71.072 15.266 1.00 44.10 C ATOM 7266 CZ3 TRP B 76 7.090 71.766 15.055 1.00 33.58 C ATOM 7268 CH2 TRP B 76 8.269 71.452 15.754 1.00 44.67 C ATOM 7270 CZ2 TRP B 76 8.324 70.442 16.665 1.00 38.84 C ATOM 7272 C TRP B 76 4.014 69.191 13.734 1.00 48.89 C ATOM 7273 O TRP B 76 5.038 68.975 13.069 1.00 42.88 O ATOM 7274 N GLU B 77 3.263 70.251 13.522 1.00 52.51 N ATOM 7276 CA GLU B 77 3.588 71.211 12.483 1.00 54.19 C ATOM 7278 CB GLU B 77 2.687 71.014 11.221 1.00 56.34 C ATOM 7281 CG GLU B 77 2.928 71.973 10.024 1.00 65.54 C ATOM 7284 CD GLU B 77 3.069 71.317 8.600 1.00 75.14 C ATOM 7285 OE1 GLU B 77 2.692 70.105 8.385 1.00 75.56 O ATOM 7286 OE2 GLU B 77 3.577 72.039 7.665 1.00 68.89 O ATOM 7287 C GLU B 77 3.390 72.532 13.201 1.00 48.29 C ATOM 7288 O GLU B 77 2.470 72.671 14.038 1.00 50.80 O ATOM 7289 N GLY B 78 4.249 73.495 12.906 1.00 39.02 N ATOM 7291 CA GLY B 78 4.116 74.794 13.527 1.00 38.17 C ATOM 7294 C GLY B 78 4.560 75.872 12.574 1.00 41.86 C ATOM 7295 O GLY B 78 4.622 75.629 11.360 1.00 42.61 O ATOM 7296 N GLU B 79 4.865 77.040 13.150 1.00 40.98 N ATOM 7298 CA GLU B 79 5.353 78.217 12.458 1.00 40.07 C ATOM 7300 CB GLU B 79 4.182 79.179 12.341 1.00 45.01 C ATOM 7303 CG GLU B 79 3.271 78.881 11.161 1.00 48.35 C ATOM 7306 CD GLU B 79 1.879 79.445 11.376 1.00 59.96 C ATOM 7307 OE1 GLU B 79 1.026 79.356 10.435 1.00 58.74 O ATOM 7308 OE2 GLU B 79 1.656 79.975 12.506 1.00 62.96 O ATOM 7309 C GLU B 79 6.534 78.904 13.206 1.00 39.29 C ATOM 7310 O GLU B 79 6.387 79.304 14.373 1.00 42.71 O ATOM 7311 N LEU B 80 7.685 79.057 12.520 1.00 40.28 N ATOM 7313 CA LEU B 80 8.955 79.568 13.102 1.00 36.41 C ATOM 7315 CB LEU B 80 10.154 79.219 12.177 1.00 36.64 C ATOM 7318 CG LEU B 80 10.738 77.781 12.076 1.00 37.91 C ATOM 7320 CD1 LEU B 80 11.526 77.548 10.745 1.00 39.77 C ATOM 7324 CD2 LEU B 80 11.649 77.344 13.193 1.00 36.07 C ATOM 7328 C LEU B 80 8.966 81.088 13.467 1.00 33.54 C ATOM 7329 O LEU B 80 8.254 81.878 12.905 1.00 32.98 O ATOM 7330 N GLY B 81 9.775 81.482 14.431 1.00 32.51 N ATOM 7332 CA GLY B 81 9.853 82.869 14.860 1.00 36.03 C ATOM 7335 C GLY B 81 11.029 82.934 15.848 1.00 42.04 C ATOM 7336 O GLY B 81 11.757 81.938 15.970 1.00 29.06 O ATOM 7337 N THR B 82 11.223 84.089 16.504 1.00 41.12 N ATOM 7339 CA THR B 82 12.122 84.225 17.659 1.00 44.53 C ATOM 7341 CB THR B 82 13.486 84.776 17.289 1.00 41.56 C ATOM 7343 OG1 THR B 82 13.438 86.212 17.236 1.00 37.05 O ATOM 7345 CG2 THR B 82 13.898 84.298 15.882 1.00 44.94 C ATOM 7349 C THR B 82 11.512 65.157 18.726 1.00 47.70 C ATOM 7350 O THR B 82 10.689 86.007 18.424 1.00 48.47 O ATOM 7351 N ASP B 83 11.949 84.980 19.971 1.00 49.65 N ATOM 7353 CA ASP B 83 11.536 85.805 21.078 1.00 43.80 C ATOM 7355 CB ASP B 83 10.137 85.412 21.497 1.00 45.31 C ATOM 7358 CG ASP B 83 9.416 86.517 22.208 1.00 48.10 C ATOM 7359 OD1 ASP B 83 10.063 87.357 22.873 1.00 43.35 O ATOM 7360 OD2 ASP B 83 8.174 86.617 22.144 1.00 55.68 O ATOM 7361 C ASP B 83 12.515 85.545 22.220 1.00 44.30 C ATOM 7362 O ASP B 83 13.317 84.618 22.164 1.00 42.87 O ATOM 7363 N LEU B 84 12.431 86.359 23.264 1.00 44.69 N ATOM 7365 CA LEU B 84 13.305 86.237 24.412 1.00 44.31 C ATOM 7367 CB LEU B 84 13.298 87.556 25.184 1.00 42.41 C ATOM 7370 CG LEU B 84 14.000 88.765 24.573 1.00 46.49 C ATOM 7372 CD1 LEU B 84 14.187 89.925 25.584 1.00 45.21 C ATOM 7376 CD2 LEU B 84 15.355 88.390 23.988 1.00 47.47 C ATOM 7380 C LEU B 84 12.880 85.069 25.317 1.00 43.92 C ATOM 7381 O LEU B 84 11.702 84.796 25.459 1.00 43.23 O ATOM 7382 N VAL B 85 13.859 84.407 25.939 1.00 48.76 N ATOM 7384 CA VAL B 85 13.639 83.210 26.747 1.00 48.52 C ATOM 7386 CB VAL B 85 13.957 81.977 25.854 1.00 49.65 C ATOM 7388 CG1 VAL B 85 13.559 80.668 26.519 1.00 54.85 C ATOM 7392 CG2 VAL B 85 13.231 82.099 24.546 1.00 45.28 C ATOM 7396 C VAL B 85 14.484 83.123 28.044 1.00 48.30 C ATOM 7397 O VAL B 85 15.712 83.170 27.981 1.00 45.59 O ATOM 7398 N SER B 86 13.825 83.000 29.206 1.00 49.13 N ATOM 7400 CA SER B 86 14.515 82.778 30.497 1.00 50.27 C ATOM 7402 CB SER B 86 14.143 83.844 31.493 1.00 52.28 C ATOM 7405 OG SER B 86 13.971 85.077 30.826 1.00 61.45 O ATOM 7407 C SER B 86 14.229 81.445 31.163 1.00 49.71 C ATOM 7408 O SER B 86 13.262 80.765 30.859 1.00 54.75 O ATOM 7409 N ILE B 87 15.095 81.078 32.089 1.00 52.73 N ATOM 7411 CA ILE B 87 14.987 79.820 32.822 1.00 52.37 C ATOM 7413 CB ILE B 87 16.176 78.977 32.494 1.00 50.27 C ATOM 7415 CG1 ILE B 87 16.194 78.704 30.987 1.00 55.91 C ATOM 7418 CD1 ILE B 87 17.502 78.078 30.465 1.00 57.49 C ATOM 7422 CG2 ILE B 87 16.117 77.687 33.268 1.00 52.97 C ATOM 7426 C ILE B 87 14.957 80.130 34.316 1.00 53.74 C ATOM 7427 O ILE B 87 15.994 80.160 34.966 1.00 56.92 O ATOM 7428 N PRO B 88 13.764 80.351 34.856 1.00 54.08 N ATOM 7429 CA PRO B 88 13.610 80.874 36.215 1.00 55.87 C ATOM 7431 CB PRO B 88 12.110 80.664 36.510 1.00 54.68 C ATOM 7434 CG PRO B 88 11.476 80.768 35.191 1.00 51.31 C ATOM 7437 CD PRO B 88 12.456 80.123 34.227 1.00 53.64 C ATOM 7440 C PRO B 88 14.441 80.173 37.222 1.00 53.06 C ATOM 7441 O PRO B 88 14.892 80.795 38.153 1.00 61.22 O ATOM 7442 N HIS B 89 14.636 78.890 37.056 1.00 55.41 N ATOM 7444 CA HIS B 89 15.464 78.155 38.000 1.00 57.00 C ATOM 7446 CB HIS B 89 14.649 77.063 38.654 1.00 57.60 C ATOM 7449 CG HIS B 89 13.583 77.600 39.539 1.00 62.81 C ATOM 7450 ND1 HIS B 89 13.871 78.340 40.670 1.00 65.83 N ATOM 7452 CE1 HIS B 89 12.738 78.695 41.251 1.00 69.42 C ATOM 7454 NE2 HIS B 89 11.729 78.218 40.536 1.00 66.12 N ATOM 7456 CD2 HIS B 89 12.232 77.532 39.456 1.00 60.92 C ATOM 7458 C HIS B 89 16.689 77.559 37.354 1.00 56.54 C ATOM 7459 O HIS B 89 17.155 76.516 37.779 1.00 57.96 O ATOM 7460 N GLY B 90 17.200 78.221 36.323 1.00 57.33 N ATOM 7462 CA GLY B 90 18.440 77.811 35.697 1.00 58.75 C ATOM 7465 C GLY B 90 19.429 78.892 36.074 1.00 60.53 C ATOM 7466 O GLY B 90 19.312 79.504 37.142 1.00 61.84 O ATOM 7467 N PRO B 91 20.414 79.142 35.224 1.00 60.10 N ATOM 7468 CA PRO B 91 21.300 80.262 35.461 1.00 57.74 C ATOM 7470 CB PRO B 91 22.367 80.061 34.393 1.00 57.95 C ATOM 7473 CG PRO B 91 21.614 79.508 33.279 1.00 56.85 C ATOM 7476 CD PRO B 91 20.778 78.440 33.977 1.00 59.95 C ATOM 7479 C PRO B 91 20.377 81.434 35.169 1.00 63.13 C ATOM 7480 O PRO B 91 19.180 81.167 34.938 1.00 60.03 O ATOM 7481 N GLN B 92 20.873 82.666 35.162 1.00 63.92 N ATOM 7483 CA GLN B 92 19.996 83.819 35.023 1.00 66.19 C ATOM 7485 CB GLN B 92 19.937 84.573 36.346 1.00 71.25 C ATOM 7488 CG GLN B 92 19.439 83.713 37.525 1.00 73.31 C ATOM 7491 CD GLN B 92 17.921 83.718 37.685 1.00 76.42 C ATOM 7492 OE1 GLN B 92 17.345 82.717 38.150 1.00 76.72 O ATOM 7493 NE2 GLN B 92 17.269 84.834 37.311 1.00 72.82 N ATOM 7496 C GLN B 92 20.453 84.734 33.903 1.00 69.00 C ATOM 7497 O GLN B 92 21.150 85.732 34.104 1.00 67.78 O ATOM 7498 N VAL B 93 20.038 84.373 32.707 1.00 70.27 N ATOM 7500 CA VAL B 93 20.402 85.094 31.520 1.00 70.88 C ATOM 7502 CB VAL B 93 21.394 84.265 30.700 1.00 71.94 C ATOM 7504 CG1 VAL B 93 22.762 84.286 31.339 1.00 72.94 C ATOM 7508 CG2 VAL B 93 20.874 82.801 30.523 1.00 72.84 C ATOM 7512 C VAL B 93 19.151 85.148 30.710 1.00 69.30 C ATOM 7513 O VAL B 93 18.311 84.268 30.889 1.00 70.51 O ATOM 7514 N THR B 94 18.997 86.150 29.841 1.00 65.09 N ATOM 7516 CA THR B 94 17.947 86.039 28.832 1.00 65.10 C ATOM 7518 CB THR B 94 17.092 87.296 28.739 1.00 68.17 C ATOM 7520 OG1 THR B 94 16.798 87.798 30.049 1.00 65.92 O ATOM 7522 CG2 THR B 94 15.731 86.972 28.133 1.00 72.53 C ATOM 7526 C THR B 94 18.602 85.783 27.479 1.00 64.42 C ATOM 7527 O THR B 94 19.532 86.496 27.088 1.00 69.43 O ATOM 7528 N VAL B 95 18.140 84.772 26.756 1.00 57.14 N ATOM 7530 CA VAL B 95 18.729 84.515 25.456 1.00 53.12 C ATOM 7532 CB VAL B 95 19.394 83.121 25.323 1.00 50.84 C ATOM 7534 CG1 VAL B 95 19.700 82.566 26.659 1.00 54.68 C ATOM 7538 CG2 VAL B 95 18.555 82.158 24.577 1.00 46.33 C ATOM 7542 C VAL B 95 17.635 84.620 24.454 1.00 52.68 C ATOM 7543 O VAL B 95 16.475 84.377 24.770 1.00 47.03 O ATOM 7544 N ARG B 96 18.010 84.998 23.242 1.00 50.05 N ATOM 7546 CA ARG B 96 17.048 85.078 22.187 1.00 47.77 C ATOM 7548 CB ARG B 96 17.343 86.245 21.248 1.00 45.70 C ATOM 7551 CG ARG B 96 16.445 86.196 20.020 1.00 41.87 C ATOM 7554 CD ARG B 96 16.267 87.486 19.279 1.00 44.39 C ATOM 7557 NE ARG B 96 15.656 88.527 20.105 1.00 45.56 N ATOM 7559 CZ ARG B 96 14.448 89.021 19.914 1.00 41.74 C ATOM 7560 NH1 ARG B 96 13.712 88.593 18.920 1.00 37.61 N ATOM 7563 NH2 ARG B 96 13.977 89.956 20.726 1.00 48.72 N ATOM 7566 C ARG B 96 17.247 83.796 21.457 1.00 47.04 C ATOM 7567 O ARG B 96 18.390 83.416 21.245 1.00 51.41 O ATOM 7568 N ALA B 97 16.177 83.108 21.071 1.00 44.16 N ATOM 7570 CA ALA B 97 16.390 81.906 20.291 1.00 43.51 C ATOM 7572 CB ALA B 97 16.628 80.760 21.208 1.00 41.66 C ATOM 7576 C ALA B 97 15.262 81.580 19.331 1.00 42.64 C ATOM 7577 O ALA B 97 14.192 82.200 19.417 1.00 45.18 O ATOM 7578 N ASN B 98 15.538 80.622 18.420 1.00 37.65 N ATOM 7580 CA ASN B 98 14.564 80.108 17.495 1.00 37.82 C ATOM 7582 CB ASN B 98 15.180 79.190 16.478 1.00 38.29 C ATOM 7585 CG ASN B 98 16.227 79.845 15.654 1.00 41.90 C ATOM 7586 OD1 ASN B 98 15.963 80.774 14.861 1.00 51.82 O ATOM 7587 ND2 ASN B 98 17.441 79.362 15.803 1.00 44.46 N ATOM 7590 C ASN B 98 13.573 79.313 18.299 1.00 39.41 C ATOM 7591 O ASN B 98 13.936 78.699 19.292 1.00 41.27 O ATOM 7592 N ILE B 99 12.325 79.318 17.851 1.00 44.08 N ATOM 7594 CA ILE B 99 11.187 78.736 18.576 1.00 43.13 C ATOM 7596 CB ILE B 99 10.469 79.758 19.384 1.00 40.30 C ATOM 7598 CG1 ILE B 99 11.428 80.624 20.138 1.00 39.86 C ATOM 7601 CD1 ILE B 99 10.726 81.360 21.242 1.00 36.21 C ATOM 7605 CG2 ILE B 99 9.611 79.058 20.375 1.00 45.93 C ATOM 7609 C ILE B 99 10.139 78.281 17.626 1.00 43.82 C ATOM 7610 O ILE B 99 9.810 78.974 16.701 1.00 48.75 O ATOM 7611 N ALA B 100 9.566 77.132 17.846 1.00 42.61 N ATOM 7613 CA ALA B 100 8.610 76.737 16.883 1.00 43.98 C ATOM 7615 CB ALA B 100 8.915 75.337 16.354 1.00 44.52 C ATOM 7619 C ALA B 100 7.296 76.786 17.546 1.00 46.44 C ATOM 7620 O ALA B 100 7.033 76.009 18.472 1.00 47.34 O ATOM 7621 N ALA B 101 6.466 77.717 17.082 1.00 50.00 N ATOM 7623 CA ALA B 101 5.076 77.790 17.525 1.00 44.40 C ATOM 7625 CB ALA B 101 4.525 79.039 17.114 1.00 43.26 C ATOM 7629 C ALA B 101 4.297 76.616 16.899 1.00 47.07 C ATOM 7630 O ALA B 101 4.063 76.581 15.683 1.00 42.89 O ATOM 7631 N ILE B 102 3.921 75.644 17.735 1.00 49.02 N ATOM 7633 CA ILE B 102 3.167 74.464 17.301 1.00 46.91 C ATOM 7635 CB ILE B 102 3.290 73.356 18.372 1.00 45.95 C ATOM 7637 CG1 ILE B 102 4.715 72.820 18.475 1.00 47.92 C ATOM 7640 CD1 ILE B 102 4.885 71.372 19.159 1.00 46.19 C ATOM 7644 CG2 ILE B 102 2.340 72.210 18.062 1.00 47.95 C ATOM 7648 C ILE B 102 1.655 74.792 17.051 1.00 44.85 C ATOM 7649 O ILE B 102 0.976 75.227 17.958 1.00 42.16 O ATOM 7650 N THR B 103 1.139 74.584 15.836 1.00 43.80 N ATOM 7652 CA THR B 103 −0.294 74.826 15.563 1.00 44.87 C ATOM 7654 CB THR B 103 −0.531 75.962 14.515 1.00 46.18 C ATOM 7656 OG1 THR B 103 −0.215 75.503 13.195 1.00 45.05 O ATOM 7658 CG2 THR B 103 0.392 77.169 14.729 1.00 43.61 C ATOM 7662 C THR B 103 −1.088 73.582 15.122 1.00 45.54 C ATOM 7663 O THR B 103 −2.287 73.675 14.931 1.00 46.12 O ATOM 7664 N GLU B 104 −0.422 72.437 14.960 1.00 49.61 N ATOM 7666 CA GLU B 104 −1.069 71.158 14.595 1.00 51.72 C ATOM 7668 CB GLU B 104 −1.337 71.025 13.092 1.00 51.86 C ATOM 7671 CG GLU B 104 −2.389 71.919 12.460 1.00 58.09 C ATOM 7674 CD GLU B 104 −2.627 71.491 11.014 1.00 67.47 C ATOM 7675 OE1 GLU B 104 −2.393 70.288 10.764 1.00 78.27 O ATOM 7676 OE2 GLU B 104 −3.018 72.299 10.124 1.00 66.28 O ATOM 7677 C GLU B 104 −0.142 70.005 15.006 1.00 53.53 C ATOM 7678 O GLU B 104 1.094 70.106 14.908 1.00 52.56 O ATOM 7679 N SER B 105 −0.726 68.903 15.452 1.00 54.92 N ATOM 7681 CA SER B 105 0.068 67.817 16.038 1.00 54.07 C ATOM 7683 CB SER B 105 0.436 68.122 17.491 1.00 53.33 C ATOM 7686 OG SER B 105 −0.746 68.387 18.230 1.00 54.72 O ATOM 7688 C SER B 105 −0.697 66.547 16.057 1.00 53.09 C ATOM 7689 O SER B 105 −1.903 66.512 15.853 1.00 53.09 O ATOM 7690 N ASP B 106 0.021 65.483 16.321 1.00 51.65 N ATOM 7692 CA ASP B 106 −0.589 64.196 16.327 1.00 53.94 C ATOM 7694 CB ASP B 106 −0.600 63.656 14.878 1.00 56.95 C ATOM 7697 CG ASP B 106 −1.127 62.219 14.767 1.00 61.31 C ATOM 7698 OD1 ASP B 106 −0.982 61.455 15.749 1.00 68.69 O ATOM 7699 OD2 ASP B 106 −1.685 61.764 13.742 1.00 50.04 O ATOM 7700 C ASP B 106 0.215 63.336 17.289 1.00 52.73 C ATOM 7701 O ASP B 106 1.407 63.125 17.096 1.00 53.01 O ATOM 7702 N LYS B 107 −0.437 62.864 18.341 1.00 54.52 N ATOM 7704 CA LYS B 107 0.169 61.898 19.239 1.00 56.18 C ATOM 7706 CB LYS B 107 0.376 60.568 18.484 1.00 56.99 C ATOM 7709 CG LYS B 107 −0.897 59.700 18.297 1.00 62.79 C ATOM 7712 CD LYS B 107 −0.759 58.662 17.101 1.00 67.69 C ATOM 7715 CE LYS B 107 −1.476 57.266 17.326 1.00 70.59 C ATOM 7718 NZ LYS B 107 −0.573 56.024 17.628 1.00 61.25 N ATOM 7722 C LYS B 107 1.496 62.465 19.798 1.00 56.67 C ATOM 7723 O LYS B 107 2.496 61.745 19.939 1.00 57.97 O ATOM 7724 N PHE B 108 1.485 63.757 20.131 1.00 54.71 N ATOM 7726 CA PHE B 108 2.675 64.447 20.607 1.00 50.93 C ATOM 7728 CB PHE B 108 2.881 65.761 19.867 1.00 49.68 C ATOM 7731 CG PHE B 108 4.076 66.495 20.318 1.00 44.97 C ATOM 7732 CD1 PHE B 108 5.317 65.919 20.213 1.00 49.71 C ATOM 7734 CE1 PHE B 108 6.406 66.559 20.618 1.00 42.72 C ATOM 7736 CZ PHE B 108 6.278 67.791 21.148 1.00 46.15 C ATOM 7738 CE2 PHE B 108 5.061 68.387 21.259 1.00 42.41 C ATOM 7740 CD2 PHE B 108 3.973 67.741 20.846 1.00 46.38 C ATOM 7742 C PHE B 108 2.524 64.744 22.058 1.00 51.85 C ATOM 7743 O PHE B 108 3.193 64.143 22.905 1.00 56.62 O ATOM 7744 N PHE B 109 1.630 65.673 22.347 1.00 48.78 N ATOM 7746 CA PHE B 109 1.324 66.029 23.717 1.00 49.69 C ATOM 7748 CB PHE B 109 0.313 67.149 23.711 1.00 44.88 C ATOM 7751 CG PHE B 109 0.729 68.284 22.858 1.00 44.87 C ATOM 7752 CD1 PHE B 109 −0.031 68.687 21.773 1.00 47.55 C ATOM 7754 CE1 PHE B 109 0.373 69.771 20.978 1.00 46.68 C ATOM 7756 CZ PHE B 109 1.541 70.428 21.267 1.00 44.40 C ATOM 7758 CE2 PHE B 109 2.319 70.019 22.352 1.00 46.41 C ATOM 7760 CD2 PHE B 109 1.909 68.958 23.132 1.00 48.50 C ATOM 7762 C PHE B 109 0.752 64.780 24.364 1.00 53.27 C ATOM 7763 O PHE B 109 0.386 63.840 23.661 1.00 53.57 O ATOM 7764 N ILE B 110 0.677 64.764 25.690 1.00 57.18 N ATOM 7766 CA ILE B 110 0.196 63.588 26.417 1.00 58.89 C ATOM 7768 CB ILE B 110 1.353 62.759 26.974 1.00 61.55 C ATOM 7770 CG1 ILE B 110 2.074 62.075 25.832 1.00 60.21 C ATOM 7773 CD1 ILE B 110 3.487 61.911 26.109 1.00 60.39 C ATOM 7777 CG2 ILE B 110 0.839 61.703 27.968 1.00 62.33 C ATOM 7781 C ILE B 110 −0.672 64.038 27.547 1.00 59.34 C ATOM 7782 O ILE B 110 −0.390 65.028 28.221 1.00 64.24 O ATOM 7783 N GLN B 111 −1.728 63.286 27.758 1.00 63.84 N ATOM 7785 CA GLN B 111 −2.744 63.660 28.706 1.00 65.98 C ATOM 7787 CB GLN B 111 −3.941 62.742 28.513 1.00 66.79 C ATOM 7790 CG GLN B 111 −5.248 63.200 29.097 1.00 70.55 C ATOM 7793 CD GLN B 111 −6.356 62.229 28.697 1.00 72.04 C ATOM 7794 OE1 GLN B 111 −6.292 61.033 29.023 1.00 74.63 O ATOM 7795 NE2 GLN B 111 −7.354 62.724 27.979 1.00 73.54 N ATOM 7798 C GLN B 111 −2.185 63.584 30.112 1.00 67.32 C ATOM 7799 O GLN B 111 −1.659 62.542 30.546 1.00 65.83 O ATOM 7800 N GLY B 112 −2.289 64.725 30.796 1.00 66.19 N ATOM 7802 CA GLY B 112 −1.840 64.879 32.169 1.00 67.48 C ATOM 7805 C GLY B 112 −0.336 65.050 32.368 1.00 65.65 C ATOM 7806 O GLY B 112 0.120 65.257 33.492 1.00 68.14 O ATOM 7807 N SER B 113 0.442 64.979 31.292 1.00 61.80 N ATOM 7809 CA SER B 113 1.894 65.125 31.398 1.00 55.68 C ATOM 7811 CB SER B 113 2.554 64.991 30.038 1.00 57.97 C ATOM 7814 OG SER B 113 2.336 66.161 29.268 1.00 60.71 O ATOM 7816 C SER B 113 2.335 66.437 31.994 1.00 48.28 C ATOM 7817 O SER B 113 3.442 66.539 32.408 1.00 50.44 O ATOM 7818 N ASN B 114 1.470 67.436 32.018 1.00 49.56 N ATOM 7820 CA ASN B 114 1.752 68.743 32.593 1.00 47.18 C ATOM 7822 CB ASN B 114 2.214 68.678 34.050 1.00 48.80 C ATOM 7825 CG ASN B 114 1.907 69.976 34.796 1.00 50.93 C ATOM 7826 OD1 ASN B 114 0.966 70.685 34.445 1.00 58.75 O ATOM 7827 ND2 ASN B 114 2.688 70.294 35.807 1.00 52.05 N ATOM 7830 C ASN B 114 2.746 69.569 31.814 1.00 47.99 C ATOM 7831 O ASN B 114 3.077 70.715 32.203 1.00 47.48 O ATOM 7832 N TRP B 115 3.266 69.060 30.717 1.00 45.35 N ATOM 7834 CA TRP B 115 4.122 70.007 30.031 1.00 46.51 C ATOM 7836 CB TRP B 115 5.503 69.497 29.653 1.00 38.21 C ATOM 7839 CG TRP B 115 5.485 68.207 29.182 1.00 37.44 C ATOM 7840 CD1 TRP B 115 5.538 67.090 29.927 1.00 45.91 C ATOM 7842 NE1 TRP B 115 5.494 65.971 29.131 1.00 39.59 N ATOM 7844 CE2 TRP B 115 5.411 66.381 27.830 1.00 39.30 C ATOM 7845 CD2 TRP B 115 5.400 67.782 27.830 1.00 38.29 C ATOM 7846 CE3 TRP B 115 5.325 68.447 26.611 1.00 36.20 C ATOM 7848 CZ3 TRP B 115 5.254 67.738 25.483 1.00 32.01 C ATOM 7850 CH2 TRP B 115 5.264 66.346 25.501 1.00 42.78 C ATOM 7852 CZ2 TRP B 115 5.339 65.648 26.675 1.00 44.67 C ATOM 7854 C TRP B 115 3.374 70.652 28.866 1.00 54.62 C ATOM 7855 O TRP B 115 2.215 70.325 28.614 1.00 56.05 O ATOM 7856 N GLU B 116 4.026 71.577 28.175 1.00 54.99 N ATOM 7858 CA GLU B 116 3.410 72.257 27.038 1.00 52.06 C ATOM 7860 CB GLU B 116 2.804 73.591 27.465 1.00 49.66 C ATOM 7863 CG GLU B 116 1.880 73.473 28.675 1.00 57.34 C ATOM 7866 CD GLU B 116 2.407 74.182 29.918 1.00 59.29 C ATOM 7867 OE1 GLU B 116 1.937 73.833 31.026 1.00 65.68 O ATOM 7868 OE2 GLU B 116 3.274 75.085 29.812 1.00 58.66 O ATOM 7869 C GLU B 116 4.427 72.514 25.938 1.00 45.98 C ATOM 7870 O GLU B 116 4.116 73.152 24.968 1.00 42.04 O ATOM 7871 N GLY B 117 5.631 71.996 26.073 1.00 40.56 N ATOM 7873 CA GLY B 117 6.659 72.302 25.096 1.00 45.15 C ATOM 7876 C GLY B 117 7.792 71.319 25.176 1.00 44.40 C ATOM 7877 O GLY B 117 7.805 70.461 26.074 1.00 47.93 O ATOM 7878 N ILE B 118 8.725 71.426 24.236 1.00 40.44 N ATOM 7880 CA ILE B 118 9.871 70.519 24.180 1.00 36.21 C ATOM 7882 CB ILE B 118 9.674 69.514 23.086 1.00 35.00 C ATOM 7884 CG1 ILE B 118 10.464 68.278 23.385 1.00 33.44 C ATOM 7887 CD1 ILE B 118 10.403 67.207 22.303 1.00 34.03 C ATOM 7891 CG2 ILE B 118 10.205 70.063 21.781 1.00 39.24 C ATOM 7895 C ILE B 118 11.143 71.282 23.877 1.00 41.42 C ATOM 7896 O ILE B 118 11.182 72.221 23.076 1.00 44.83 O ATOM 7897 N LEU B 119 12.222 70.866 24.487 1.00 41.80 N ATOM 7899 CA LEU B 119 13.436 71.619 24.365 1.00 39.40 C ATOM 7901 CB LEU B 119 13.746 72.308 25.689 1.00 39.02 C ATOM 7904 CG LEU B 119 15.223 72.554 25.963 1.00 48.91 C ATOM 7906 CD1 LEU B 119 15.713 73.515 24.940 1.00 46.92 C ATOM 7910 CD2 LEU B 119 15.530 73.056 27.398 1.00 50.56 C ATOM 7914 C LEU B 119 14.367 70.537 24.053 1.00 38.35 C ATOM 7915 O LEU B 119 14.783 69.813 24.919 1.00 43.76 O ATOM 7916 N GLY B 120 14.670 70.384 22.787 1.00 40.04 N ATOM 7918 CA GLY B 120 15.509 69.293 22.383 1.00 39.07 C ATOM 7921 C GLY B 120 16.882 69.824 22.631 1.00 40.82 C ATOM 7922 O GLY B 120 17.085 71.007 22.343 1.00 40.62 O ATOM 7923 N LEU B 121 17.802 68.996 23.150 1.00 35.37 N ATOM 7925 CA LEU B 121 19.142 69.463 23.439 1.00 33.34 C ATOM 7927 CB LEU B 121 19.468 69.229 24.895 1.00 34.88 C ATOM 7930 CG LEU B 121 18.605 69.997 25.920 1.00 41.96 C ATOM 7932 CD1 LEU B 121 18.186 69.169 27.155 1.00 38.40 C ATOM 7936 CD2 LEU B 121 19.280 71.249 26.382 1.00 41.64 C ATOM 7940 C LEU B 121 20.169 68.759 22.554 1.00 38.26 C ATOM 7941 O LEU B 121 21.348 68.835 22.820 1.00 37.48 O ATOM 7942 N ALA B 122 19.740 68.086 21.489 1.00 40.79 N ATOM 7944 CA ALA B 122 20.697 67.353 20.674 1.00 42.59 C ATOM 7946 CB ALA B 122 20.045 66.267 19.949 1.00 49.22 C ATOM 7950 C ALA B 122 21.322 68.323 19.728 1.00 45.18 C ATOM 7951 O ALA B 122 21.205 69.515 19.938 1.00 45.85 O ATOM 7952 N TYR B 123 22.006 67.848 18.697 1.00 47.39 N ATOM 7954 CA TYR B 123 22.763 68.790 17.870 1.00 48.54 C ATOM 7956 CB TYR B 123 24.118 68.208 17.447 1.00 50.84 C ATOM 7959 CG TYR B 123 25.038 67.830 18.578 1.00 50.51 C ATOM 7960 CD1 TYR B 123 24.905 66.616 19.214 1.00 52.07 C ATOM 7962 CE1 TYR B 123 25.759 66.249 20.268 1.00 56.08 C ATOM 7964 CZ TYR B 123 26.759 67.115 20.679 1.00 57.64 C ATOM 7965 OH TYR B 123 27.589 66.754 21.710 1.00 62.04 O ATOM 7967 CE2 TYR B 123 26.917 68.341 20.054 1.00 58.63 C ATOM 7969 CD2 TYR B 123 26.051 68.692 19.001 1.00 56.37 C ATOM 7971 C TYR B 123 21.979 69.223 16.661 1.00 43.80 C ATOM 7972 O TYR B 123 20.957 68.637 16.350 1.00 50.79 O ATOM 7973 N ALA B 124 22.477 70.250 15.982 1.00 43.43 N ATOM 7975 CA ALA B 124 21.793 70.841 14.838 1.00 43.69 C ATOM 7977 CB ALA B 124 22.566 72.036 14.319 1.00 46.07 C ATOM 7981 C ALA B 124 21.612 69.869 13.717 1.00 42.56 C ATOM 7982 O ALA B 124 20.594 69.882 13.067 1.00 42.47 O ATOM 7983 N GLU B 125 22.582 69.006 13.476 1.00 44.82 N ATOM 7985 CA GLU B 125 22.469 68.163 12.296 1.00 47.99 C ATOM 7987 CB GLU B 125 23.515 67.059 12.235 1.00 49.37 C ATOM 7990 CG GLU B 125 22.957 65.812 11.577 1.00 57.34 C ATOM 7993 CD GLU B 125 23.551 65.493 10.224 1.00 64.77 C ATOM 7994 OE1 GLU B 125 24.491 64.674 10.186 1.00 71.72 O ATOM 7995 OE2 GLU B 125 23.068 66.040 9.201 1.00 74.39 O ATOM 7996 C GLU B 125 21.107 67.553 12.132 1.00 44.92 C ATOM 7997 O GLU B 125 20.708 67.270 11.008 1.00 47.91 O ATOM 7998 N ILE B 126 20.381 67.329 13.219 1.00 43.01 N ATOM 8000 CA ILE B 126 19.116 66.641 13.067 1.00 40.58 C ATOM 8002 CB ILE B 126 19.078 65.412 13.969 1.00 39.84 C ATOM 8004 CG1 ILE B 126 18.870 65.776 15.413 1.00 43.52 C ATOM 8007 CD1 ILE B 126 18.662 64.549 16.288 1.00 44.92 C ATOM 8011 CG2 ILE B 126 20.372 64.751 13.908 1.00 40.38 C ATOM 8015 C ILE B 126 17.962 67.565 13.315 1.00 42.42 C ATOM 8016 O ILE B 126 16.823 67.138 13.565 1.00 40.90 O ATOM 8017 N ALA B 127 18.250 68.853 13.236 1.00 42.86 N ATOM 8019 CA ALA B 127 17.202 69.836 13.404 1.00 42.99 C ATOM 8021 CB ALA B 127 17.753 71.130 13.922 1.00 44.98 C ATOM 8025 C ALA B 127 16.525 70.059 12.091 1.00 41.47 C ATOM 8026 O ALA B 127 17.105 69.882 11.050 1.00 39.97 O ATOM 8027 N ARG B 128 15.272 70.444 12.165 1.00 44.79 N ATOM 8029 CA ARG B 128 14.517 70.755 10.990 1.00 43.13 C ATOM 8031 CB ARG B 128 13.282 69.894 10.960 1.00 42.01 C ATOM 8034 CG ARG B 128 13.574 68.400 11.101 1.00 49.12 C ATOM 8037 CD ARG B 128 13.536 67.609 9.795 1.00 52.69 C ATOM 8040 NE ARG B 128 13.330 66.174 10.019 1.00 58.75 N ATOM 8042 CZ ARG B 128 12.511 65.403 9.306 1.00 61.67 C ATOM 8043 NH1 ARG B 128 11.809 65.915 8.308 1.00 58.06 N ATOM 8046 NH2 ARG B 128 12.396 64.110 9.592 1.00 62.03 N ATOM 8049 C ARG B 128 14.154 72.208 11.134 1.00 41.86 C ATOM 8050 O ARG B 128 14.131 72.729 12.258 1.00 39.07 O ATOM 8051 N PRO B 129 13.883 72.863 10.013 1.00 42.22 N ATOM 8052 CA PRO B 129 13.958 72.233 8.694 1.00 43.56 C ATOM 8054 CB PRO B 129 13.390 73.274 7.755 1.00 45.93 C ATOM 8057 CG PRO B 129 12.704 74.249 8.633 1.00 47.55 C ATOM 8060 CD PRO B 129 13.465 74.266 9.924 1.00 43.06 C ATOM 8063 C PRO B 129 15.348 71.893 8.290 1.00 45.94 C ATOM 8064 O PRO B 129 15.524 71.066 7.396 1.00 49.70 O ATOM 8065 N ASP B 130 16.340 72.488 8.929 1.00 51.65 N ATOM 8067 CA ASP B 130 17.715 72.086 8.642 1.00 53.34 C ATOM 8069 CB ASP B 130 18.119 72.654 7.330 1.00 55.91 C ATOM 8072 CG ASP B 130 18.180 74.138 7.387 1.00 61.07 C ATOM 8073 OD1 ASP B 130 17.510 74.791 6.545 1.00 72.80 O ATOM 8074 OD2 ASP B 130 18.856 74.738 8.265 1.00 52.07 O ATOM 8075 C ASP B 130 18.748 72.613 9.600 1.00 55.45 C ATOM 8076 O ASP B 130 18.515 73.579 10.342 1.00 58.60 O ATOM 8077 N ASP B 131 19.918 71.989 9.529 1.00 53.37 N ATOM 8079 CA ASP B 131 21.056 72.356 10.347 1.00 52.86 C ATOM 8081 CB ASP B 131 22.321 71.615 9.849 1.00 56.83 C ATOM 8084 CG ASP B 131 22.898 72.170 8.499 1.00 67.88 C ATOM 8085 OD1 ASP B 131 22.369 73.164 7.913 1.00 71.66 O ATOM 8086 OD2 ASP B 131 23.911 71.651 7.950 1.00 67.67 O ATOM 8087 C ASP B 131 21.294 73.855 10.486 1.00 47.33 C ATOM 8088 O ASP B 131 22.103 74.261 11.276 1.00 55.44 O ATOM 8089 N SER B 132 20.599 74.692 9.743 1.00 49.22 N ATOM 8091 CA SER B 132 20.799 76.144 9.863 1.00 51.59 C ATOM 8093 CB SER B 132 20.431 76.880 8.576 1.00 56.09 C ATOM 8096 OG SER B 132 19.064 77.316 8.672 1.00 56.61 O ATOM 8098 C SER B 132 19.910 76.773 10.877 1.00 48.16 C ATOM 8099 O SER B 132 19.967 77.966 11.030 1.00 48.29 O ATOM 8100 N LEU B 133 19.044 75.996 11.514 1.00 51.70 N ATOM 8102 CA LEU B 133 18.210 76.511 12.594 1.00 48.34 C ATOM 8104 CB LEU B 133 16.784 75.967 12.530 1.00 50.22 C ATOM 8107 CG LEU B 133 15.867 76.770 13.479 1.00 50.22 C ATOM 8109 CD1 LEU B 133 15.291 77.914 12.692 1.00 51.60 C ATOM 8113 CD2 LEU B 133 14.749 75.979 14.133 1.00 46.25 C ATOM 8117 C LEU B 133 18.841 76.165 13.947 1.00 48.97 C ATOM 8118 O LEU B 133 18.549 75.164 14.561 1.00 55.14 O ATOM 8119 N GLU B 134 19.728 77.021 14.398 1.00 51.87 N ATOM 8121 CA GLU B 134 20.411 76.871 15.673 1.00 49.82 C ATOM 8123 CB GLU B 134 21.132 78.206 15.930 1.00 52.58 C ATOM 8126 CG GLU B 134 21.942 78.394 17.194 1.00 57.11 C ATOM 8129 CD GLU B 134 22.920 79.568 17.051 1.00 62.70 C ATOM 8130 OE1 GLU B 134 23.903 79.441 16.281 1.00 65.85 O ATOM 8131 OE2 GLU B 134 22.717 80.622 17.696 1.00 63.04 O ATOM 8132 C GLU B 134 19.462 76.499 16.822 1.00 46.15 C ATOM 8133 O GLU B 134 18.509 77.230 17.070 1.00 40.78 O ATOM 8134 N PRO B 135 19.735 75.368 17.494 1.00 39.43 N ATOM 8135 CA PRO B 135 19.040 74.917 18.710 1.00 40.62 C ATOM 8137 CB PRO B 135 19.597 73.515 18.944 1.00 39.60 C ATOM 8140 CG PRO B 135 20.409 73.187 17.783 1.00 40.53 C ATOM 8143 CD PRO B 135 20.750 74.409 17.082 1.00 41.45 C ATOM 8146 C PRO B 135 19.301 75.722 19.982 1.00 39.91 C ATOM 8147 O PRO B 135 20.327 76.366 20.169 1.00 42.53 O ATOM 8148 N PHE B 136 18.361 75.638 20.906 1.00 44.02 N ATOM 8150 CA PHE B 136 18.396 76.470 22.119 1.00 44.27 C ATOM 8152 CB PHE B 136 17.279 76.100 23.088 1.00 41.68 C ATOM 8155 CG PHE B 136 17.309 76.929 24.293 1.00 39.04 C ATOM 8156 CD1 PHE B 136 16.639 78.098 24.334 1.00 40.01 C ATOM 8158 CE1 PHE B 136 16.683 78.881 25.442 1.00 43.44 C ATOM 8160 CZ PHE B 136 17.417 78.488 26.517 1.00 46.05 C ATOM 8162 CE2 PHE B 136 18.113 77.300 26.477 1.00 43.71 C ATOM 8164 CD2 PHE B 136 18.056 76.545 25.374 1.00 44.61 C ATOM 8166 C PHE B 136 19.672 76.460 22.926 1.00 42.84 C ATOM 8167 O PHE B 136 20.091 77.478 23.427 1.00 44.70 O ATOM 8168 N PHE B 137 20.282 75.304 23.088 1.00 44.28 N ATOM 8170 CA PHE B 137 21.496 75.261 23.888 1.00 45.73 C ATOM 8172 CB PHE B 137 21.819 73.830 24.336 1.00 46.94 C ATOM 8175 CG PHE B 137 22.697 73.789 25.521 1.00 45.95 C ATOM 8176 CD1 PHE B 137 22.194 73.993 26.756 1.00 47.44 C ATOM 8178 CE1 PHE B 137 23.015 73.972 27.830 1.00 47.99 C ATOM 8180 CZ PHE B 137 24.338 73.756 27.680 1.00 36.10 C ATOM 8182 CE2 PHE B 137 24.842 73.561 26.482 1.00 37.75 C ATOM 8184 CD2 PHE B 137 24.041 73.575 25.394 1.00 45.95 C ATOM 8186 C PHE B 137 22.696 75.938 23.216 1.00 43.32 C ATOM 8187 O PHE B 137 23.468 76.599 23.887 1.00 42.97 O ATOM 8188 N ASP B 138 22.843 75.783 21.895 1.00 44.54 N ATOM 8190 CA ASP B 138 23.891 76.481 21.156 1.00 37.01 C ATOM 8192 CB ASP B 138 23.736 76.253 19.706 1.00 35.76 C ATOM 8195 CG ASP B 138 24.247 74.993 19.282 1.00 41.96 C ATOM 8196 OD1 ASP B 138 25.187 75.024 18.467 1.00 61.10 O ATOM 8197 OD2 ASP B 138 23.796 73.908 19.672 1.00 56.89 O ATOM 8198 C ASP B 138 23.788 77.995 21.316 1.00 43.61 C ATOM 8199 O ASP B 138 24.743 78.650 21.697 1.00 47.84 O ATOM 8200 N SER B 139 22.626 78.554 20.991 1.00 46.65 N ATOM 8202 CA SER B 139 22.433 79.979 21.115 1.00 48.26 C ATOM 8204 CB SER B 139 21.004 80.383 20.742 1.00 51.54 C ATOM 8207 OG SER B 139 20.647 79.872 19.469 1.00 51.53 O ATOM 8209 C SER B 139 22.691 80.372 22.526 1.00 48.43 C ATOM 8210 O SER B 139 23.245 81.423 22.774 1.00 49.51 O ATOM 8211 N LEU B 140 22.286 79.537 23.470 1.00 52.62 N ATOM 8213 CA LEU B 140 22.480 79.895 24.874 1.00 56.48 C ATOM 8215 CB LEU B 140 21.930 78.831 25.813 1.00 56.51 C ATOM 8218 CG LEU B 140 22.375 79.194 27.234 1.00 54.72 C ATOM 8220 CD1 LEU B 140 21.590 80.369 27.719 1.00 55.46 C ATOM 8224 CD2 LEU B 140 22.222 78.095 28.210 1.00 57.48 C ATOM 8228 C LEU B 140 23.955 80.086 25.211 1.00 57.93 C ATOM 8229 O LEU B 140 24.333 81.037 25.897 1.00 59.89 O ATOM 8230 N VAL B 141 24.793 79.168 24.751 1.00 55.68 N ATOM 8232 CA VAL B 141 26.196 79.300 25.021 1.00 54.58 C ATOM 8234 CB VAL B 141 26.883 78.025 24.692 1.00 58.69 C ATOM 8236 CG1 VAL B 141 28.370 78.251 24.440 1.00 58.03 C ATOM 8240 CG2 VAL B 141 26.664 77.039 25.839 1.00 61.23 C ATOM 8244 C VAL B 141 26.822 80.452 24.243 1.00 57.01 C ATOM 8245 O VAL B 141 27.587 81.229 24.817 1.00 58.33 O ATOM 8246 N LYS B 142 26.517 80.585 22.948 1.00 54.66 N ATOM 8248 CA LYS B 142 27.109 81.677 22.188 1.00 51.01 C ATOM 8250 CB LYS B 142 26.710 81.694 20.673 1.00 47.84 C ATOM 8253 CG LYS B 142 27.455 80.681 19.723 1.00 48.68 C ATOM 8256 CD LYS B 142 26.743 80.426 18.329 1.00 54.09 C ATOM 8259 CE LYS B 142 27.275 79.184 17.438 1.00 59.89 C ATOM 8262 NZ LYS B 142 26.633 77.779 17.577 1.00 63.41 N ATOM 8266 C LYS B 142 26.755 82.966 22.952 1.00 49.96 C ATOM 8267 O LYS B 142 27.616 83.791 23.156 1.00 61.21 O ATOM 8268 N GLN B 143 25.521 83.104 23.424 1.00 50.78 N ATOM 8270 CA GLN B 143 24.976 84.369 24.029 1.00 49.37 C ATOM 8272 CB GLN B 143 23.414 84.421 23.829 1.00 45.79 C ATOM 8275 CG GLN B 143 22.945 84.825 22.372 1.00 47.31 C ATOM 8278 CD GLN B 143 21.414 84.810 22.107 1.00 47.17 C ATOM 8279 OE1 GLN B 143 20.610 85.248 22.936 1.00 50.01 O ATOM 8280 NE2 GLN B 143 21.028 84.304 20.937 1.00 42.57 N ATOM 8283 C GLN B 143 25.276 84.719 25.510 1.00 49.46 C ATOM 8284 O GLN B 143 24.919 85.789 25.961 1.00 53.59 O ATOM 8285 N THR B 144 25.887 83.831 26.275 1.00 54.02 N ATOM 8287 CA THR B 144 26.271 84.125 27.662 1.00 56.45 C ATOM 8289 CB THR B 144 25.218 83.587 28.639 1.00 58.45 C ATOM 8291 OG1 THR B 144 25.574 82.273 29.043 1.00 57.95 O ATOM 8293 CG2 THR B 144 23.847 83.426 27.968 1.00 57.06 C ATOM 8297 C THR B 144 27.659 83.476 27.925 1.00 62.87 C ATOM 8298 O THR B 144 28.354 83.092 26.977 1.00 65.39 O ATOM 8299 N HIS B 145 28.091 83.348 29.174 1.00 65.98 N ATOM 8301 CA HIS B 145 29.387 82.706 29.445 1.00 74.26 C ATOM 8303 CB HIS B 145 30.175 83.559 30.474 1.00 80.56 C ATOM 8306 CG HIS B 145 30.447 84.988 30.036 1.00 86.80 C ATOM 8307 ND1 HIS B 145 29.853 86.089 30.629 1.00 87.60 N ATOM 8309 CE1 HIS B 145 30.285 87.194 30.045 1.00 87.90 C ATOM 8311 NE2 HIS B 145 31.142 86.856 29.099 1.00 89.90 N ATOM 8313 CD2 HIS B 145 31.263 85.486 29.073 1.00 88.35 C ATOM 8315 C HIS B 145 29.243 81.228 29.905 1.00 71.71 C ATOM 8316 O HIS B 145 30.212 80.600 30.363 1.00 71.89 O ATOM 8317 N VAL B 146 28.031 80.682 29.754 1.00 66.58 N ATOM 8319 CA VAL B 146 27.678 79.350 30.230 1.00 58.14 C ATOM 8321 CB VAL B 146 26.233 79.064 29.905 1.00 59.42 C ATOM 8323 CG1 VAL B 146 25.936 77.582 29.997 1.00 62.47 C ATOM 6327 CG2 VAL B 146 25.357 79.864 30.838 1.00 57.89 C ATOM 8331 C VAL B 146 28.537 78.328 29.562 1.00 54.48 C ATOM 8332 O VAL B 146 28.531 78.205 28.337 1.00 59.51 O ATOM 8333 N PRO B 147 29.288 77.580 30.359 1.00 51.96 N ATOM 8334 CA PRO B 147 30.138 76.562 29.777 1.00 49.03 C ATOM 8336 CB PRO B 147 30.757 75.883 30.985 1.00 46.35 C ATOM 8339 CG PRO B 147 30.725 76.871 32.008 1.00 44.84 C ATOM 8342 CD PRO B 147 29.404 77.576 31.827 1.00 51.63 C ATOM 8345 C PRO B 147 29.250 75.614 29.019 1.00 51.04 C ATOM 8346 O PRO B 147 28.120 75.312 29.390 1.00 56.78 O ATOM 8347 N ASN B 148 29.782 75.143 27.923 1.00 45.46 N ATOM 8349 CA ASN B 148 29.006 74.373 27.015 1.00 41.55 C ATOM 8351 CB ASN B 148 29.683 74.441 25.664 1.00 43.45 C ATOM 8354 CG ASN B 148 28.986 73.682 24.627 1.00 41.45 C ATOM 8355 OD1 ASN B 148 27.770 73.450 24.682 1.00 44.14 O ATOM 8356 ND2 ASN B 148 29.744 73.296 23.627 1.00 37.99 N ATOM 8359 C ASN B 148 28.991 72.993 27.538 1.00 43.05 C ATOM 8360 O ASN B 148 29.608 72.076 26.973 1.00 40.55 O ATOM 8361 N LEU B 149 28.283 72.847 28.648 1.00 42.80 N ATOM 8363 CA LEU B 149 28.132 71.521 29.273 1.00 41.70 C ATOM 8365 CB LEU B 149 29.275 71.263 30.278 1.00 39.84 C ATOM 8368 CG LEU B 149 29.338 69.945 31.031 1.00 41.12 C ATOM 8370 CD1 LEU B 149 30.675 69.702 31.551 1.00 39.27 C ATOM 8374 CD2 LEU B 149 28.368 69.844 32.185 1.00 43.77 C ATOM 8378 C LEU B 149 26.812 71.556 30.000 1.00 42.18 C ATOM 8379 O LEU B 149 26.391 72.623 30.409 1.00 48.04 O ATOM 8380 N PHE B 150 26.128 70.428 30.161 1.00 37.65 N ATOM 8382 CA PHE B 150 24.982 70.422 31.068 1.00 39.61 C ATOM 8384 CB PHE B 150 23.718 70.954 30.396 1.00 40.04 C ATOM 8387 CG PHE B 150 23.235 70.093 29.272 1.00 41.92 C ATOM 8388 CD1 PHE B 150 23.411 70.479 27.963 1.00 40.21 C ATOM 8390 CE1 PHE B 150 22.976 69.678 26.938 1.00 37.50 C ATOM 8392 CZ PHE B 150 22.352 68.486 27.193 1.00 45.37 C ATOM 8394 CE2 PHE B 150 22.165 68.070 28.490 1.00 40.66 C ATOM 8396 CD2 PHE B 150 22.608 68.878 29.526 1.00 38.93 C ATOM 8398 C PHE B 150 24.829 68.982 31.584 1.00 42.19 C ATOM 8399 O PHE B 150 25.195 68.043 30.883 1.00 41.76 O ATOM 8400 N SER B 151 24.321 68.798 32.803 1.00 37.28 N ATOM 8402 CA SER B 151 24.135 67.438 33.313 1.00 42.07 C ATOM 8404 CB SER B 151 25.051 67.208 34.517 1.00 38.99 C ATOM 8407 OG SER B 151 25.053 68.364 35.324 1.00 34.21 O ATOM 8409 C SER B 151 22.671 67.218 33.728 1.00 43.06 C ATOM 8410 O SER B 151 21.970 68.169 34.071 1.00 45.97 O ATOM 8411 N LEU B 152 22.207 65.979 33.719 1.00 40.15 N ATOM 8413 CA LEU B 152 20.832 65.747 34.122 1.00 40.34 C ATOM 8415 CB LEU B 152 19.975 65.313 32.938 1.00 42.16 C ATOM 8418 CG LEU B 152 19.590 66.186 31.756 1.00 38.97 C ATOM 8420 CD1 LEU B 152 18.685 65.352 30.911 1.00 40.87 C ATOM 8424 CD2 LEU B 152 18.885 67.410 32.159 1.00 38.15 C ATOM 8428 C LEU B 152 20.743 64.628 35.107 1.00 39.44 C ATOM 8429 O LEU B 152 21.228 63.573 34.843 1.00 35.13 O ATOM 8430 N GLN B 153 20.108 64.855 36.242 1.00 43.22 N ATOM 8432 CA GLN B 153 19.824 63.772 37.180 1.00 42.34 C ATOM 8434 CB GLN B 153 20.216 64.202 38.577 1.00 41.36 C ATOM 8437 CG GLN B 153 20.061 63.157 39.636 1.00 43.66 C ATOM 8440 CD GLN B 153 19.775 63.765 41.000 1.00 46.84 C ATOM 8441 OE1 GLN B 153 18.981 64.710 41.126 1.00 51.70 O ATOM 8442 NE2 GLN B 153 20.437 63.238 42.022 1.00 51.83 N ATOM 8445 C GLN B 153 18.317 63.555 37.191 1.00 44.67 C ATOM 8446 O GLN B 153 17.613 64.327 37.822 1.00 47.27 O ATOM 8447 N LEU B 154 17.803 62.538 36.510 1.00 45.13 N ATOM 8449 CA LEU B 154 16.364 62.281 36.551 1.00 40.93 C ATOM 8451 CB LEU B 154 15.907 61.599 35.270 1.00 37.85 C ATOM 8454 CG LEU B 154 16.262 62.308 33.959 1.00 35.17 C ATOM 8456 CD1 LEU B 154 15.572 61.588 32.748 1.00 32.97 C ATOM 8460 CD2 LEU B 154 15.890 63.766 34.016 1.00 30.94 C ATOM 8464 C LEU B 154 16.081 61.330 37.707 1.00 49.47 C ATOM 8465 O LEU B 154 16.811 60.349 37.889 1.00 54.75 O ATOM 8466 N CYS B 155 15.044 61.606 38.490 1.00 52.56 N ATOM 8468 CA CYS B 155 14.695 60.747 39.622 1.00 56.72 C ATOM 8470 CB CYS B 155 14.662 61.539 40.934 1.00 57.35 C ATOM 8473 SG CYS B 155 16.265 62.120 41.545 1.00 67.57 S ATOM 8474 C CYS B 155 13.353 60.028 39.473 1.00 58.59 C ATOM 8475 O CYS B 155 12.271 60.650 39.467 1.00 57.85 O ATOM 8476 N GLY B 156 13.417 58.707 39.352 1.00 56.91 N ATOM 8478 CA GLY B 156 12.205 57.930 39.443 1.00 58.92 C ATOM 8481 C GLY B 156 11.860 57.937 40.923 1.00 58.63 C ATOM 8482 O GLY B 156 12.749 58.009 41.741 1.00 56.21 O ATOM 8483 N ALA B 157 10.591 57.864 41.288 1.00 62.17 N ATOM 8485 CA ALA B 157 10.255 57.778 42.709 1.00 64.46 C ATOM 8487 CB ALA B 157 9.080 58.650 43.026 1.00 63.92 C ATOM 8491 C ALA B 157 10.022 56.338 43.211 1.00 66.10 C ATOM 8492 O ALA B 157 9.966 56.114 44.426 1.00 64.25 O ATOM 8493 N GLY B 158 9.883 55.383 42.284 1.00 66.93 N ATOM 8495 CA GLY B 158 9.804 53.966 42.636 1.00 69.42 C ATOM 8498 C GLY B 158 8.530 53.537 43.351 1.00 70.66 C ATOM 8499 O GLY B 158 8.531 52.749 44.322 1.00 69.74 O ATOM 8500 N PHE B 159 7.441 54.080 42.826 1.00 70.60 N ATOM 8502 CA PHE B 159 6.078 53.846 43.273 1.00 71.27 C ATOM 8504 CB PHE B 159 5.883 53.920 44.813 1.00 69.71 C ATOM 8507 CG PHE B 159 6.184 55.263 45.427 1.00 64.66 C ATOM 8508 CD1 PHE B 159 7.228 55.397 46.334 1.00 61.90 C ATOM 8510 CE1 PHE B 159 7.521 56.634 46.919 1.00 65.05 C ATOM 8512 CZ PHE B 159 6.751 57.756 46.599 1.00 68.53 C ATOM 8514 CE2 PHE B 159 5.690 57.631 45.694 1.00 67.06 C ATOM 8516 CD2 PHE B 159 5.414 56.383 45.115 1.00 66.54 C ATOM 8518 C PHE B 159 5.311 54.914 42.502 1.00 71.04 C ATOM 6519 O PHE B 159 5.851 55.974 42.212 1.00 68.13 O ATOM 8520 N PRO B 160 4.064 54.657 42.157 1.00 71.26 N ATOM 8521 CA PRO B 160 3.361 55.586 41.283 1.00 72.10 C ATOM 8523 CB PRO B 160 2.102 54.812 40.899 1.00 72.89 C ATOM 8526 CG PRO B 160 2.325 53.429 41.341 1.00 71.93 C ATOM 8529 CD PRO B 160 3.218 53.519 42.533 1.00 69.92 C ATOM 8532 C PRO B 160 2.959 56.894 41.919 1.00 71.65 C ATOM 8533 O PRO B 160 2.888 57.045 43.136 1.00 72.02 O ATOM 8534 N LEU B 161 2.703 57.841 41.039 1.00 71.52 N ATOM 8536 CA LEU B 161 2.108 59.104 41.403 1.00 75.59 C ATOM 8538 CB LEU B 161 3.160 60.196 41.575 1.00 77.46 C ATOM 8541 CG LEU B 161 4.493 59.938 42.269 1.00 78.23 C ATOM 8543 CD1 LEU B 161 5.608 60.398 41.338 1.00 78.97 C ATOM 8547 CD2 LEU B 161 4.570 60.663 43.611 1.00 75.00 C ATOM 8551 C LEU B 161 1.177 59.500 40.252 1.00 76.43 C ATOM 8552 O LEU B 161 1.492 59.322 39.071 1.00 79.99 O ATOM 8553 N GLN B 162 0.016 60.022 40.584 1.00 75.26 N ATOM 8555 CA GLN B 162 -0.853 60.579 39.563 1.00 75.96 C ATOM 8557 CB GLN B 162 -2.266 60.698 40.126 1.00 75.84 C ATOM 8560 CG GLN B 162 -2.314 61.141 41.592 1.00 72.01 C ATOM 8563 CD GLN B 162 -1.628 62.471 41.822 1.00 71.95 C ATOM 8564 OE1 GLN B 162 -0.588 62.767 41.223 1.00 69.09 O ATOM 8565 NE2 GLN B 162 -2.203 63.281 42.696 1.00 72.77 N ATOM 8568 C GLN B 162 -0.290 61.961 39.102 1.00 77.71 C ATOM 8569 O GLN B 162 0.933 62.153 39.019 1.00 79.30 O ATOM 8570 N GLN B 163 -1.163 62.919 38.811 1.00 74.89 N ATOM 8572 CA GLN B 163 -0.706 64.215 38.347 1.00 76.31 C ATOM 8574 CB GLN B 163 -1.665 64.799 37.275 1.00 74.58 C ATOM 8577 CG GLN B 163 -1.457 66.276 36.955 1.00 75.98 C ATOM 8580 CD GLN B 163 -1.774 66.679 35.491 1.00 78.50 C ATOM 8581 OE1 GLN B 163 -2.869 66.428 34.982 1.00 73.62 O ATOM 8582 NE2 GLN B 163 -0.797 67.316 34.828 1.00 77.14 N ATOM 8585 C GLN B 163 -0.497 65.139 39.566 1.00 78.42 C ATOM 8586 O GLN B 163 0.544 65.807 39.667 1.00 84.37 O ATOM 8587 N SER B 164 -1.452 65.154 40.501 1.00 76.38 N ATOM 8589 CA SER B 164 -1.369 66.023 41.690 1.00 73.78 C ATOM 8591 CB SER B 164 -2.442 65.635 42.714 1.00 71.78 C ATOM 8594 OG SER B 164 -2.807 66.743 43.533 1.00 71.79 O ATOM 8596 C SER B 164 -0.014 65.965 42.395 1.00 76.38 C ATOM 8597 O SER B 164 0.467 66.969 42.942 1.00 71.19 O ATOM 8598 N GLU B 165 0.590 64.778 42.378 1.00 78.65 N ATOM 8600 CA GLU B 165 1.805 64.521 43.125 1.00 82.23 C ATOM 8602 CB GLU B 165 1.948 63.017 43.344 1.00 86.01 C ATOM 8605 CG GLU B 165 0.848 62.399 44.201 1.00 88.14 C ATOM 8608 CD GLU B 165 1.063 60.911 44.445 1.00 90.26 C ATOM 8609 OE1 GLU B 165 2.025 60.560 45.159 1.00 87.30 O ATOM 8610 OE2 GLU B 165 0.266 60.089 43.928 1.00 95.66 O ATOM 8611 C GLU B 165 3.053 65.082 42.436 1.00 81.15 C ATOM 8612 O GLU B 165 3.975 65.580 43.096 1.00 76.40 O ATOM 8613 N VAL B 166 3.080 64.989 41.111 1.00 79.46 N ATOM 8615 CA VAL B 166 4.196 65.532 40.338 1.00 77.43 C ATOM 8617 CB VAL B 166 4.063 65.124 38.829 1.00 75.19 C ATOM 8619 CG1 VAL B 166 4.836 66.023 37.922 1.00 77.04 C ATOM 8623 CG2 VAL B 166 4.538 63.703 38.634 1.00 74.61 C ATOM 8627 C VAL B 166 4.353 67.060 40.568 1.00 75.47 C ATOM 8628 O VAL B 166 5.468 67.551 40.621 1.00 75.66 O ATOM 8629 N LEU B 167 3.259 67.804 40.727 1.00 75.60 N ATOM 8631 CA LEU B 167 3.348 69.261 40.931 1.00 75.68 C ATOM 8633 CB LEU B 167 1.977 69.929 40.772 1.00 76.77 C ATOM 8636 CG LEU B 167 1.248 69.774 39.430 1.00 80.17 C ATOM 8638 CD1 LEU B 167 −0.170 70.365 39.474 1.00 77.26 C ATOM 8642 CD2 LEU B 167 2.047 70.399 38.282 1.00 82.87 C ATOM 8646 C LEU B 167 3.887 69.644 42.302 1.00 73.27 C ATOM 8647 O LEU B 167 4.593 70.643 42.476 1.00 69.74 O ATOM 8648 N ALA B 168 3.543 68.848 43.288 1.00 73.73 N ATOM 8650 CA ALA B 168 3.962 69.147 44.636 1.00 77.27 C ATOM 8652 CB ALA B 168 2.949 68.585 45.638 1.00 75.98 C ATOM 8656 C ALA B 168 5.353 68.596 44.921 1.00 78.89 C ATOM 8657 O ALA B 168 5.995 69.005 45.889 1.00 84.58 O ATOM 8658 N SER B 169 5.832 67.688 44.083 1.00 76.97 N ATOM 8660 CA SER B 169 7.094 67.029 44.373 1.00 77.52 C ATOM 8662 CB SER B 169 6.858 65.549 44.637 1.00 80.08 C ATOM 8665 OG SER B 169 5.612 65.396 45.312 1.00 83.47 O ATOM 8667 C SER B 169 8.122 67.204 43.285 1.00 75.54 C ATOM 8668 O SER B 169 7.817 67.604 42.162 1.00 69.75 O ATOM 8669 N VAL B 170 9.355 66.890 43.658 1.00 74.47 N ATOM 8671 CA VAL B 170 10.511 67.097 42.805 1.00 73.73 C ATOM 8673 CB VAL B 170 11.777 67.421 43.675 1.00 72.68 C ATOM 8675 CG1 VAL B 170 13.078 67.140 42.959 1.00 74.83 C ATOM 8679 CG2 VAL B 170 11.755 68.881 44.098 1.00 72.94 C ATOM 8683 C VAL B 170 10.654 65.893 41.861 1.00 71.65 C ATOM 8684 O VAL B 170 9.950 64.866 42.012 1.00 75.35 O ATOM 8685 N GLY B 171 11.525 66.035 40.863 1.00 64.10 N ATOM 8687 CA GLY B 171 11.730 64.987 39.890 1.00 57.27 C ATOM 8690 C GLY B 171 13.146 64.918 39.419 1.00 52.94 C ATOM 8691 O GLY B 171 13.434 64.116 38.563 1.00 50.16 O ATOM 8692 N GLY B 172 14.024 65.757 39.959 1.00 48.11 N ATOM 8694 CA GLY B 172 15.412 65.704 39.591 1.00 48.37 C ATOM 8697 C GLY B 172 15.975 67.066 39.249 1.00 51.80 C ATOM 8698 O GLY B 172 15.357 68.102 39.524 1.00 54.56 O ATOM 8699 N SER B 173 17.167 67.063 38.658 1.00 48.83 N ATOM 8701 CA SER B 173 17.796 68.288 38.259 1.00 43.89 C ATOM 8703 CB SER B 173 19.000 68.557 39.113 1.00 42.65 C ATOM 8706 OG SER B 173 18.603 69.033 40.373 1.00 49.32 O ATOM 8708 C SER B 173 18.297 68.264 36.864 1.00 44.21 C ATOM 8709 O SER B 173 18.544 67.207 36.273 1.00 45.21 O ATOM 8710 N MET B 174 18.432 69.476 36.356 1.00 43.20 N ATOM 8712 CA MET B 174 19.138 69.725 35.148 1.00 43.58 C ATOM 8714 CB MET B 174 18.184 70.144 34.044 1.00 43.84 C ATOM 8717 CG MET B 174 18.971 70.650 32.883 1.00 46.91 C ATOM 8720 SD MET B 174 18.074 70.998 31.472 1.00 53.60 S ATOM 8721 CE MET B 174 17.365 72.553 31.872 1.00 56.75 C ATOM 8725 C MET B 174 20.132 70.872 35.471 1.00 45.69 C ATOM 8726 O MET B 174 19.721 72.028 35.575 1.00 45.35 O ATOM 8727 N ILE B 175 21.418 70.577 35.650 1.00 41.84 N ATOM 8729 CA ILE B 175 22.376 71.663 35.853 1.00 46.48 C ATOM 8731 CB ILE B 175 23.548 71.295 36.811 1.00 47.95 C ATOM 8733 CG1 ILE B 175 23.105 70.444 37.989 1.00 46.56 C ATOM 8736 CD1 ILE B 175 22.250 71.153 38.942 1.00 46.76 C ATOM 8740 CG2 ILE B 175 24.168 72.567 37.289 1.00 45.43 C ATOM 8744 C ILE B 175 22.986 72.113 34.524 1.00 44.88 C ATOM 8745 O ILE B 175 23.615 71.333 33.802 1.00 48.63 O ATOM 8746 N ILE B 176 22.815 73.385 34.216 1.00 51.15 N ATOM 8748 CA ILE B 176 23.223 73.942 32.922 1.00 51.24 C ATOM 8750 CB ILE B 176 22.198 74.980 32.470 1.00 51.72 C ATOM 8752 CG1 ILE B 176 20.833 74.369 32.300 1.00 45.30 C ATOM 8755 CD1 ILE B 176 20.454 74.362 30.860 1.00 49.64 C ATOM 8759 CG2 ILE B 176 22.621 75.606 31.135 1.00 53.65 C ATOM 8763 C ILE B 176 24.558 74.647 33.020 1.00 50.93 C ATOM 8764 O ILE B 176 24.648 75.704 33.620 1.00 52.76 O ATOM 8765 N GLY B 177 25.584 74.065 32.413 1.00 53.67 N ATOM 8767 CA GLY B 177 26.921 74.625 32.462 1.00 52.15 C ATOM 8770 C GLY B 177 27.839 74.139 33.561 1.00 48.67 C ATOM 8771 O GLY B 177 28.832 74.776 33.795 1.00 52.76 O ATOM 8772 N GLY B 178 27.538 73.029 34.224 1.00 51.24 N ATOM 8774 CA GLY B 178 28.406 72.536 35.293 1.00 51.26 C ATOM 8777 C GLY B 178 28.016 71.184 35.886 1.00 52.43 C ATOM 8778 O GLY B 178 27.068 70.577 35.440 1.00 59.00 O ATOM 8779 N ILE B 179 28.730 70.717 36.903 1.00 50.07 N ATOM 8781 CA ILE B 179 28.446 69.433 37.512 1.00 45.67 C ATOM 8783 CB ILE B 179 29.610 68.519 37.252 1.00 47.32 C ATOM 8785 CG1 ILE B 179 29.842 68.357 35.761 1.00 49.07 C ATOM 8788 CD1 ILE B 179 31.133 67.633 35.429 1.00 45.35 C ATOM 8792 CG2 ILE B 179 29.350 67.174 37.842 1.00 48.87 C ATOM 8796 C ILE B 179 28.271 69.601 39.024 1.00 46.31 C ATOM 8797 O ILE B 179 29.115 70.203 39.691 1.00 48.40 O ATOM 8798 N ASP B 180 27.199 69.060 39.581 1.00 45.06 N ATOM 8800 CA ASP B 180 26.925 69.265 40.996 1.00 46.20 C ATOM 8802 CB ASP B 180 25.489 69.733 41.193 1.00 48.62 C ATOM 8805 CG ASP B 180 25.183 70.143 42.644 1.00 50.85 C ATOM 8806 OD1 ASP B 180 25.059 71.353 42.922 1.00 46.55 O ATOM 8807 OD2 ASP B 180 25.034 69.324 43.579 1.00 57.84 O ATOM 8808 C ASP B 180 27.169 68.037 41.828 1.00 46.31 C ATOM 8809 O ASP B 180 26.308 67.217 41.996 1.00 52.16 O ATOM 8810 N HIS B 181 28.377 67.942 42.351 1.00 51.89 N ATOM 8812 CA HIS B 181 28.831 66.897 43.277 1.00 50.52 C ATOM 8814 CB HIS B 181 29.990 67.496 44.061 1.00 50.18 C ATOM 8817 CG HIS B 181 31.190 67.731 43.220 1.00 60.85 C ATOM 8818 ND1 HIS B 181 32.309 68.400 43.673 1.00 67.21 N ATOM 8820 CE1 HIS B 181 33.207 68.450 42.704 1.00 70.69 C ATOM 8822 NE2 HIS B 181 32.708 67.841 41.639 1.00 75.54 N ATOM 8824 CD2 HIS B 181 31.447 67.381 41.936 1.00 67.45 C ATOM 8826 C HIS B 181 27.858 66.226 44.276 1.00 48.76 C ATOM 8827 O HIS B 181 28.090 65.086 44.671 1.00 50.74 O ATOM 8828 N SER B 182 26.797 66.891 44.718 1.00 47.39 N ATOM 8830 CA SER B 182 25.899 66.216 45.653 1.00 47.06 C ATOM 8832 CB SER B 182 25.005 67.213 46.359 1.00 44.50 C ATOM 8835 OG SER B 182 24.325 67.978 45.398 1.00 49.42 O ATOM 8837 C SER B 182 25.041 65.202 44.909 1.00 44.21 C ATOM 8838 O SER B 182 24.473 64.259 45.490 1.00 42.19 O ATOM 8839 N LEU B 183 24.941 65.377 43.611 1.00 35.22 N ATOM 8841 CA LEU B 183 24.017 64.548 42.910 1.00 34.72 C ATOM 8843 CB LEU B 183 23.541 65.242 41.625 1.00 37.22 C ATOM 8846 CG LEU B 183 23.060 66.693 41.814 1.00 35.27 C ATOM 8848 CD1 LEU B 183 22.723 67.333 40.490 1.00 35.13 C ATOM 8852 CD2 LEU B 183 21.845 66.772 42.757 1.00 39.21 C ATOM 8856 C LEU B 183 24.581 63.170 42.659 1.00 34.54 C ATOM 8857 O LEU B 183 23.893 62.348 42.140 1.00 32.68 O ATOM 8858 N TYR B 184 25.814 62.867 43.032 1.00 40.53 N ATOM 8860 CA TYR B 184 26.304 61.495 42.751 1.00 40.17 C ATOM 8862 CB TYR B 184 26.806 61.441 41.320 1.00 42.80 C ATOM 8865 CG TYR B 184 28.109 62.182 41.128 1.00 39.74 C ATOM 8866 CD1 TYR B 184 28.111 63.548 40.992 1.00 37.66 C ATOM 8868 CE1 TYR B 184 29.253 64.256 40.803 1.00 37.61 C ATOM 8870 CZ TYR B 184 30.456 63.621 40.763 1.00 47.41 C ATOM 8871 OH TYR B 184 31.576 64.426 40.581 1.00 55.00 O ATOM 8873 CE2 TYR B 184 30.520 62.236 40.906 1.00 43.25 C ATOM 8875 CD2 TYR B 184 29.322 61.520 41.083 1.00 41.71 C ATOM 8877 C TYR B 184 27.436 60.952 43.634 1.00 41.79 C ATOM 8878 O TYR B 184 28.095 61.684 44.365 1.00 46.68 O ATOM 8879 N THR B 185 27.686 59.655 43.536 1.00 43.21 N ATOM 8881 CA THR B 185 28.744 59.045 44.328 1.00 44.21 C ATOM 8883 CB THR B 185 28.163 58.164 45.366 1.00 44.37 C ATOM 8885 OG1 THR B 185 27.282 57.235 44.714 1.00 55.13 O ATOM 8887 CG2 THR B 185 27.257 58.969 46.275 1.00 43.63 C ATOM 8891 C THR B 185 29.676 58.215 43.499 1.00 43.25 C ATOM 8892 O THR B 185 29.280 57.701 42.428 1.00 41.22 O ATOM 8893 N GLY B 186 30.912 58.084 44.009 1.00 36.99 N ATOM 8895 CA GLY B 186 31.934 57.353 43.311 1.00 37.15 C ATOM 8898 C GLY B 186 32.359 58.174 42.111 1.00 39.52 C ATOM 8899 O GLY B 186 31.993 59.309 41.970 1.00 41.98 O ATOM 8900 N SER B 187 33.106 57.606 41.199 1.00 41.91 N ATOM 8902 CA SER B 187 33.702 58.455 40.213 1.00 43.54 C ATOM 8904 CB SER B 187 35.132 57.957 39.931 1.00 49.17 C ATOM 8907 OG SER B 187 35.905 57.864 41.143 1.00 51.70 O ATOM 8909 C SER B 187 32.906 58.552 38.968 1.00 38.74 C ATOM 8910 O SER B 187 32.171 57.665 38.677 1.00 44.27 O ATOM 8911 N LEU B 188 33.054 59.649 38.236 1.00 36.60 N ATOM 8913 CA LEU B 188 32.451 59.779 36.908 1.00 36.77 C ATOM 8915 CB LEU B 188 32.452 61.247 36.480 1.00 29.29 C ATOM 8918 CG LEU B 188 31.170 62.059 36.695 1.00 26.22 C ATOM 8920 CD1 LEU B 188 31.400 63.517 36.419 1.00 31.52 C ATOM 8924 CD2 LEU B 188 30.078 61.647 35.819 1.00 28.00 C ATOM 8928 C LEU B 188 33.233 59.037 35.839 1.00 37.01 C ATOM 8929 O LEU B 188 34.379 59.346 35.689 1.00 42.16 O ATOM 8930 N TRP B 189 32.622 58.095 35.096 1.00 44.14 N ATOM 8932 CA TRP B 189 33.225 57.450 33.888 1.00 40.20 C ATOM 8934 CB TRP B 189 33.043 55.957 33.873 1.00 42.63 C ATOM 8937 CG TRP B 189 33.929 55.247 34.839 1.00 44.06 C ATOM 8938 CD1 TRP B 189 33.638 54.972 36.099 1.00 38.39 C ATOM 8940 NE1 TRP B 189 34.685 54.319 36.695 1.00 45.18 N ATOM 8942 CE2 TRP B 189 35.687 54.158 35.787 1.00 44.17 C ATOM 8943 CD2 TRP B 189 35.248 54.733 34.600 1.00 44.91 C ATOM 8944 CE3 TRP B 189 36.102 54.699 33.487 1.00 53.36 C ATOM 8946 CZ3 TRP B 189 37.351 54.090 33.618 1.00 52.20 C ATOM 8948 CH2 TRP B 189 37.752 53.528 34.833 1.00 50.78 C ATOM 8950 CZ2 TRP B 189 36.938 53.549 35.923 1.00 50.20 C ATOM 8952 C TRP B 189 32.610 57.975 32.572 1.00 43.79 C ATOM 8953 O TRP B 189 31.391 58.184 32.480 1.00 46.26 O ATOM 8954 N TYR B 190 33.469 58.151 31.560 1.00 42.68 N ATOM 8956 CA TYR B 190 33.154 58.828 30.296 1.00 39.84 C ATOM 8958 CB TYR B 190 34.052 60.070 30.215 1.00 36.42 C ATOM 8961 CG TYR B 190 33.685 61.270 31.080 1.00 33.81 C ATOM 8962 CD1 TYR B 190 34.442 61.624 32.172 1.00 37.07 C ATOM 8964 CE1 TYR B 190 34.111 62.703 32.935 1.00 42.72 C ATOM 8966 CZ TYR B 190 32.992 63.450 32.590 1.00 45.10 C ATOM 8967 OH TYR B 190 32.601 64.565 33.313 1.00 53.55 O ATOM 8969 CE2 TYR B 190 32.255 63.102 31.516 1.00 30.96 C ATOM 8971 CD2 TYR B 190 32.597 62.043 30.775 1.00 33.25 C ATOM 8973 C TYR B 190 33.386 58.066 28.964 1.00 38.96 C ATOM 8974 O TYR B 190 34.524 57.748 28.621 1.00 51.45 O ATOM 8975 N THR B 191 32.312 57.822 28.210 1.00 47.13 N ATOM 8977 CA THR B 191 32.398 57.242 26.864 1.00 47.27 C ATOM 8979 CB THR B 191 31.143 56.433 26.566 1.00 47.24 C ATOM 8981 OG1 THR B 191 31.383 55.461 25.550 1.00 50.31 O ATOM 8983 CG2 THR B 191 30.100 57.286 25.966 1.00 48.46 C ATOM 8987 C THR B 191 32.464 58.404 25.872 1.00 51.71 C ATOM 8988 O THR B 191 31.924 59.462 26.120 1.00 56.58 O ATOM 8989 N PRO B 192 33.116 58.236 24.741 1.00 54.66 N ATOM 8990 CA PRO B 192 33.183 59.339 23.783 1.00 53.51 C ATOM 8992 CB PRO B 192 34.249 58.903 22.788 1.00 53.85 C ATOM 8995 CG PRO B 192 34.716 57.512 23.244 1.00 56.15 C ATOM 8998 CD PRO B 192 33.802 57.022 24.282 1.00 54.11 C ATOM 9001 C PRO B 192 31.875 59.435 23.058 1.00 53.29 C ATOM 9002 O PRO B 192 31.105 58.500 23.175 1.00 48.91 O ATOM 9003 N ILE B 193 31.654 60.547 22.351 1.00 53.07 N ATOM 9005 CA ILE B 193 30.506 60.753 21.490 1.00 47.51 C ATOM 9007 CB ILE B 193 29.967 62.149 21.619 1.00 53.03 C ATOM 9009 CG1 ILE B 193 29.103 62.310 22.871 1.00 53.04 C ATOM 9012 CD1 ILE B 193 28.952 63.742 23.319 1.00 53.15 C ATOM 9016 CG2 ILE B 193 29.109 62.457 20.421 1.00 53.72 C ATOM 9020 C ILE B 193 31.029 60.603 20.091 1.00 50.01 C ATOM 9021 O ILE B 193 31.857 61.413 19.615 1.00 45.74 O ATOM 9022 N ARG B 194 30.519 59.566 19.442 1.00 49.20 N ATOM 9024 CA ARG B 194 30.954 59.093 18.139 1.00 48.45 C ATOM 9026 CB ARG B 194 30.161 57.826 17.861 1.00 46.41 C ATOM 9029 CG ARG B 194 30.797 56.851 16.901 1.00 47.20 C ATOM 9032 CD ARG B 194 29.735 56.067 16.153 1.00 43.61 C ATOM 9035 NE ARG B 194 30.326 55.148 15.205 1.00 44.33 N ATOM 9037 CZ ARG B 194 29.624 54.477 14.301 1.00 45.08 C ATOM 9038 NH1 ARG B 194 28.331 54.639 14.241 1.00 42.10 N ATOM 9041 NH2 ARG B 194 30.207 53.647 13.452 1.00 44.38 N ATOM 9044 C ARG B 194 30.740 60.071 16.978 1.00 55.22 C ATOM 9045 O ARG B 194 31.503 60.047 15.987 1.00 56.72 O ATOM 9046 N ARG B 195 29.696 60.906 17.113 1.00 57.00 N ATOM 9048 CA ARG B 195 29.244 61.865 16.087 1.00 53.97 C ATOM 9050 CB ARG B 195 28.412 61.171 15.017 1.00 55.76 C ATOM 9053 CG ARG B 195 28.550 61.762 13.630 1.00 60.64 C ATOM 9056 CD ARG B 195 27.234 61.923 12.849 1.00 60.09 C ATOM 9059 NE ARG B 195 26.847 60.696 12.164 1.00 64.82 N ATOM 9061 CZ ARG B 195 26.074 60.632 11.079 1.00 66.70 C ATOM 9062 NH1 ARG B 195 25.572 61.735 10.520 1.00 66.60 N ATOM 9065 NH2 ARG B 195 25.799 59.444 10.549 1.00 67.97 N ATOM 9068 C ARG B 195 28.326 62.857 16.769 1.00 52.68 C ATOM 9069 O ARG B 195 27.499 62.483 17.605 1.00 48.21 O ATOM 9070 N GLU B 196 28.455 64.127 16.440 1.00 48.78 N ATOM 9072 CA GLU B 196 27.569 65.071 17.046 1.00 48.32 C ATOM 9074 CB GLU B 196 28.199 66.421 17.091 1.00 47.83 C ATOM 9077 CG GLU B 196 29.399 66.401 17.960 1.00 48.63 C ATOM 9080 CD GLU B 196 30.197 67.634 17.756 1.00 47.85 C ATOM 9081 OE1 GLU B 196 31.098 67.524 16.899 1.00 45.46 O ATOM 9082 OE2 GLU B 196 29.909 68.667 18.442 1.00 49.47 O ATOM 9083 C GLU B 196 26.332 65.193 16.240 1.00 48.04 C ATOM 9084 O GLU B 196 26.225 66.119 15.433 1.00 51.46 O ATOM 9085 N TRP B 197 25.402 64.269 16.438 1.00 43.41 N ATOM 9087 CA TRP B 197 24.115 64.382 15.786 1.00 42.70 C ATOM 9089 CB TRP B 197 24.013 63.512 14.546 1.00 42.18 C ATOM 9092 CG TRP B 197 24.166 62.015 14.631 1.00 44.56 C ATOM 9093 CD1 TRP B 197 25.015 61.311 15.385 1.00 48.17 C ATOM 9095 NE1 TRP B 197 24.855 59.961 15.166 1.00 44.01 N ATOM 9097 CE2 TRP B 197 23.874 59.782 14.237 1.00 41.09 C ATOM 9098 CD2 TRP B 197 23.417 61.054 13.872 1.00 47.74 C ATOM 9099 CE3 TRP B 197 22.389 61.153 12.917 1.00 49.53 C ATOM 9101 CZ3 TRP B 197 21.865 59.993 12.371 1.00 47.08 C ATOM 9103 CH2 TRP B 197 22.353 58.744 12.763 1.00 51.98 C ATOM 9105 CZ2 TRP B 197 23.361 58.622 13.696 1.00 41.61 C ATOM 9107 C TRP B 197 23.112 64.138 16.888 1.00 41.55 C ATOM 9108 O TRP B 197 22.746 65.084 17.582 1.00 42.56 O ATOM 9109 N TYR B 198 22.672 62.900 17.075 1.00 42.61 N ATOM 9111 CA TYR B 198 22.025 62.545 18.329 1.00 41.33 C ATOM 9113 CB TYR B 198 21.459 61.157 18.244 1.00 41.19 C ATOM 9116 CG TYR B 198 20.254 61.024 17.390 1.00 39.49 C ATOM 9117 CD1 TYR B 198 19.012 61.248 17.911 1.00 39.50 C ATOM 9119 CE1 TYR B 198 17.901 61.130 17.152 1.00 38.38 C ATOM 9121 CZ TYR B 198 18.010 60.768 15.848 1.00 37.08 C ATOM 9122 OH TYR B 198 16.880 60.654 15.099 1.00 33.61 O ATOM 9124 CE2 TYR B 198 19.229 60.528 15.293 1.00 42.60 C ATOM 9126 CD2 TYR B 198 20.356 60.661 16.074 1.00 43.81 C ATOM 9128 C TYR B 198 23.182 62.519 19.341 1.00 40.43 C ATOM 9129 O TYR B 198 24.272 62.908 18.991 1.00 47.49 O ATOM 9130 N TYR B 199 22.981 62.088 20.584 1.00 38.21 N ATOM 9132 CA TYR B 199 24.128 61.846 21.436 1.00 35.93 C ATOM 9134 CB TYR B 199 23.802 62.177 22.865 1.00 39.90 C ATOM 9137 CG TYR B 199 23.751 63.668 23.174 1.00 43.36 C ATOM 9138 CD1 TYR B 199 22.570 64.349 23.130 1.00 39.75 C ATOM 9140 CE1 TYR B 199 22.500 65.679 23.408 1.00 42.44 C ATOM 9142 CZ TYR B 199 23.616 66.367 23.741 1.00 46.22 C ATOM 9143 OH TYR B 199 23.499 67.707 24.010 1.00 44.65 O ATOM 9145 CE2 TYR B 199 24.832 65.726 23.794 1.00 48.47 C ATOM 9147 CD2 TYR B 199 24.894 64.379 23.509 1.00 44.07 C ATOM 9149 C TYR B 199 24.366 60.365 21.226 1.00 42.71 C ATOM 9150 O TYR B 199 23.584 59.507 21.710 1.00 43.87 O ATOM 9151 N GLU B 200 25.422 60.033 20.481 1.00 43.77 N ATOM 9153 CA GLU B 200 25.573 58.653 19.995 1.00 42.26 C ATOM 9155 CB GLU B 200 25.609 58.566 18.475 1.00 37.46 C ATOM 9158 CG GLU B 200 25.766 57.159 17.955 1.00 37.24 C ATOM 9161 CD GLU B 200 26.297 57.077 16.511 1.00 51.42 C ATOM 9162 OE1 GLU B 200 26.309 58.100 15.756 1.00 59.01 O ATOM 9163 OE2 GLU B 200 26.707 55.969 16.101 1.00 50.91 O ATOM 9164 C GLU B 200 26.810 58.089 20.527 1.00 46.93 C ATOM 9165 O GLU B 200 27.810 58.766 20.484 1.00 48.35 O ATOM 9166 N VAL B 201 26.703 56.841 21.021 1.00 52.84 N ATOM 9168 CA VAL B 201 27.773 56.090 21.669 1.00 48.82 C ATOM 9170 CB VAL B 201 27.515 55.969 23.163 1.00 51.19 C ATOM 9172 CG1 VAL B 201 27.484 57.332 23.864 1.00 51.45 C ATOM 9176 CG2 VAL B 201 26.230 55.280 23.383 1.00 48.19 C ATOM 9180 C VAL B 201 27.783 54.659 21.166 1.00 50.01 C ATOM 9181 O VAL B 201 26.965 54.283 20.341 1.00 54.12 O ATOM 9182 N ILE B 202 28.701 53.858 21.702 1.00 49.72 N ATOM 9184 CA ILE B 202 28.945 52.497 21.257 1.00 45.16 C ATOM 9186 CB ILE B 202 30.262 52.442 20.484 1.00 46.37 C ATOM 9188 CG1 ILE B 202 30.075 52.858 19.028 1.00 47.26 C ATOM 9191 CD1 ILE B 202 31.097 53.824 18.585 1.00 51.48 C ATOM 9195 CG2 ILE B 202 30.727 51.098 20.431 1.00 39.79 C ATOM 9199 C ILE B 202 29.052 51.546 22.401 1.00 42.02 C ATOM 9200 O ILE B 202 29.706 51.788 23.359 1.00 44.16 O ATOM 9201 N ILE B 203 28.429 50.423 22.252 1.00 42.56 N ATOM 9203 CA ILE B 203 28.259 49.497 23.327 1.00 45.31 C ATOM 9205 CB ILE B 203 26.823 49.150 23.567 1.00 43.41 C ATOM 9207 CG1 ILE B 203 26.040 50.325 24.088 1.00 41.62 C ATOM 9210 CD1 ILE B 203 24.600 49.972 24.158 1.00 42.16 C ATOM 9214 CG2 ILE B 203 26.780 48.073 24.599 1.00 44.28 C ATOM 9218 C ILE B 203 28.888 48.250 22.866 1.00 49.14 C ATOM 9219 O ILE B 203 28.537 47.712 21.806 1.00 47.82 O ATOM 9220 N VAL B 204 29.782 47.762 23.696 1.00 49.32 N ATOM 9222 CA VAL B 204 30.610 46.689 23.294 1.00 48.88 C ATOM 9224 CB VAL B 204 31.996 47.004 23.720 1.00 45.35 C ATOM 9226 CG1 VAL B 204 32.441 48.273 23.012 1.00 49.69 C ATOM 9230 CG2 VAL B 204 32.055 47.203 25.163 1.00 44.93 C ATOM 9234 C VAL B 204 30.179 45.382 23.866 1.00 51.35 C ATOM 9235 O VAL B 204 30.565 44.349 23.337 1.00 57.30 O ATOM 9236 N ARG B 205 29.392 45.397 24.941 1.00 50.88 N ATOM 9238 CA ARG B 205 29.044 44.122 25.568 1.00 52.74 C ATOM 9240 CB ARG B 205 30.299 43.498 26.174 1.00 52.53 C ATOM 9243 CG ARG B 205 30.064 42.536 27.318 1.00 54.44 C ATOM 9246 CD ARG B 205 31.354 41.863 27.754 1.00 56.13 C ATOM 9249 NE ARG B 205 31.296 41.266 29.087 1.00 59.87 N ATOM 9251 CZ ARG B 205 31.742 40.048 29.378 1.00 59.78 C ATOM 9252 NH1 ARG B 205 32.275 39.296 28.429 1.00 58.07 N ATOM 9255 NH2 ARG B 205 31.657 39.585 30.618 1.00 61.85 N ATOM 9258 C ARG B 205 27.953 44.177 26.605 1.00 50.44 C ATOM 9259 O ARG B 205 28.004 44.985 27.512 1.00 60.70 O ATOM 9260 N VAL B 206 26.972 43.298 26.455 1.00 48.83 N ATOM 9262 CA VAL B 206 25.846 43.189 27.373 1.00 48.98 C ATOM 9264 CB VAL B 206 24.544 43.113 26.609 1.00 47.56 C ATOM 9266 CG1 VAL B 206 23.429 42.948 27.571 1.00 51.41 C ATOM 9270 CG2 VAL B 206 24.310 44.358 25.719 1.00 47.81 C ATOM 9274 C VAL B 206 25.931 41.888 28.204 1.00 49.62 C ATOM 9275 O VAL B 206 26.324 40.839 27.707 1.00 51.17 O ATOM 9276 N GLU B 207 25.549 41.972 29.466 1.00 48.53 N ATOM 9278 CA GLU B 207 25.511 40.846 30.346 1.00 50.25 C ATOM 9280 CB GLU B 207 26.588 40.933 31.415 1.00 50.16 C ATOM 9283 CG GLU B 207 27.966 40.533 30.976 1.00 49.74 C ATOM 9286 CD GLU B 207 28.971 40.942 32.003 1.00 49.93 C ATOM 9287 OE1 GLU B 207 28.551 41.333 33.115 1.00 53.30 O ATOM 9288 OE2 GLU B 207 30.168 40.887 31.697 1.00 51.43 O ATOM 9289 C GLU B 207 24.194 40.846 31.063 1.00 53.82 C ATOM 9290 O GLU B 207 23.625 41.879 31.314 1.00 53.60 O ATOM 9291 N ILE B 208 23.715 39.664 31.408 1.00 56.66 N ATOM 9293 CA ILE B 208 22.535 39.565 32.224 1.00 54.83 C ATOM 9295 CB ILE B 208 21.422 38.952 31.434 1.00 55.18 C ATOM 9297 CG1 ILE B 208 21.118 39.839 30.212 1.00 56.27 C ATOM 9300 CD1 ILE B 208 20.393 41.124 30.503 1.00 49.77 C ATOM 9304 CG2 ILE B 208 20.205 38.785 32.309 1.00 57.22 C ATOM 9308 C ILE B 208 22.955 38.724 33.429 1.00 57.88 C ATOM 9309 O ILE B 208 23.347 37.560 33.302 1.00 57.17 O ATOM 9310 N ASN B 209 22.883 39.337 34.603 1.00 54.93 N ATOM 9312 CA ASN B 209 23.319 38.694 35.835 1.00 56.25 C ATOM 9314 CB ASN B 209 22.270 37.722 36.372 1.00 54.61 C ATOM 9317 CG ASN B 209 21.639 38.210 37.663 1.00 55.46 C ATOM 9318 OD1 ASN B 209 21.992 39.277 38.187 1.00 50.67 O ATOM 9319 ND2 ASN B 209 20.695 37.428 38.189 1.00 53.95 N ATOM 9322 C ASN B 209 24.668 38.015 35.668 1.00 52.94 C ATOM 9323 O ASN B 209 24.881 36.887 36.076 1.00 47.18 O ATOM 9324 N GLY B 210 25.581 38.741 35.055 1.00 51.75 N ATOM 9326 CA GLY B 210 26.943 38.274 34.887 1.00 47.80 C ATOM 9329 C GLY B 210 27.140 37.488 33.626 1.00 46.54 C ATOM 9330 O GLY B 210 28.279 37.328 33.187 1.00 40.63 O ATOM 9331 N GLN B 211 26.035 37.004 33.051 1.00 50.65 N ATOM 9333 CA GLN B 211 26.080 36.138 31.863 1.00 53.20 C ATOM 9335 CB GLN B 211 24.983 35.077 31.888 1.00 52.67 C ATOM 9338 CG GLN B 211 24.850 34.430 30.515 1.00 63.08 C ATOM 9341 CD GLN B 211 24.441 32.964 30.550 1.00 65.01 C ATOM 9342 OE1 GLN B 211 23.518 32.591 31.263 1.00 67.35 O ATOM 9343 NE2 GLN B 211 25.123 32.142 29.767 1.00 70.29 N ATOM 9346 C GLN B 211 25.986 36.886 30.522 1.00 54.37 C ATOM 9347 O GLN B 211 24.946 37.452 30.180 1.00 54.93 O ATOM 9348 N ASP B 212 27.098 36.852 29.788 1.00 52.76 N ATOM 9350 CA ASP B 212 27.269 37.451 28.466 1.00 56.79 C ATOM 9352 CB ASP B 212 28.662 37.038 27.957 1.00 54.29 C ATOM 9355 CG ASP B 212 29.016 37.650 26.623 1.00 63.19 C ATOM 9356 OD1 ASP B 212 28.177 38.399 26.067 1.00 70.42 O ATOM 9357 OD2 ASP B 212 30.120 37.448 26.044 1.00 67.39 O ATOM 9358 C ASP B 212 26.189 37.063 27.435 1.00 61.19 C ATOM 9359 O ASP B 212 25.844 35.877 27.280 1.00 54.41 O ATOM 9360 N LEU B 213 25.680 38.092 26.738 1.00 62.11 N ATOM 9362 CA LEU B 213 24.673 37.937 25.688 1.00 61.19 C ATOM 9364 CB LEU B 213 24.155 39.306 25.248 1.00 62.39 C ATOM 9367 CG LEU B 213 22.628 39.359 25.155 1.00 58.53 C ATOM 9369 CD1 LEU B 213 22.077 38.183 25.895 1.00 57.55 C ATOM 9373 CD2 LEU B 213 22.041 40.662 25.697 1.00 55.91 C ATOM 9377 C LEU B 213 25.319 37.210 24.534 1.00 63.18 C ATOM 9378 O LYS B 213 24.671 36.470 23.794 1.00 57.02 O ATOM 9379 N LYS B 214 26.619 37.447 24.387 1.00 66.53 N ATOM 9381 CA LYS B 214 27.466 36.603 23.539 1.00 70.91 C ATOM 9383 CB LYS B 214 27.309 35.139 23.941 1.00 69.78 C ATOM 9386 CG LYS B 214 28.397 34.242 23.410 1.00 71.78 C ATOM 9389 CD LYS B 214 28.266 32.838 23.992 1.00 72.93 C ATOM 9392 CE LYS B 214 28.927 31.796 23.116 1.00 70.34 C ATOM 9395 NZ LYS B 214 27.903 31.146 22.264 1.00 64.34 N ATOM 9399 C LYS B 214 27.143 36.780 22.072 1.00 73.22 C ATOM 9400 O LYS B 214 27.246 35.850 21.251 1.00 66.62 O ATOM 9401 N MET B 215 26.757 38.011 21.774 1.00 75.18 N ATOM 9403 CA MET B 215 26.432 38.407 20.440 1.00 73.26 C ATOM 9405 CB MET B 215 25.290 39.408 20.449 1.00 72.49 C ATOM 9408 CG MET B 215 23.998 38.728 20.268 1.00 72.86 C ATOM 9411 SD MET B 215 22.683 39.755 20.640 1.00 75.68 S ATOM 9412 CE MET B 215 21.602 39.194 19.427 1.00 75.77 C ATOM 9416 C MET B 215 27.642 39.092 19.959 1.00 73.98 C ATOM 9417 O MET B 215 28.518 39.477 20.760 1.00 71.14 O ATOM 9418 N ASP B 216 27.691 39.237 18.644 1.00 72.78 N ATOM 9420 CA ASP B 216 28.719 40.037 18.037 1.00 71.14 C ATOM 9422 CB ASP B 216 28.767 39.744 16.540 1.00 71.31 C ATOM 9425 CG ASP B 216 29.577 40.749 15.771 1.00 74.43 C ATOM 9426 OD1 ASP B 216 30.271 41.594 16.394 1.00 80.47 O ATOM 9427 OD2 ASP B 216 29.584 40.763 14.524 1.00 72.09 O ATOM 9428 C ASP B 216 28.186 41.415 18.401 1.00 68.29 C ATOM 9429 O ASP B 216 26.983 41.655 18.318 1.00 62.61 O ATOM 9430 N CYS B 217 29.061 42.308 18.831 1.00 68.51 N ATOM 9432 CA CYS B 217 28.625 43.609 19.316 1.00 68.58 C ATOM 9434 CB CYS B 217 29.795 44.285 19.994 1.00 68.63 C ATOM 9437 SG CYS B 217 31.286 44.299 18.997 1.00 74.46 S ATOM 9438 C CYS B 217 28.007 44.565 18.282 1.00 70.29 C ATOM 9439 O CYS B 217 27.287 45.509 18.640 1.00 68.93 O ATOM 9440 N LYS B 218 28.244 44.334 17.002 1.00 71.63 N ATOM 9442 CA LYS B 218 27.750 45.284 16.014 1.00 70.37 C ATOM 9444 CB LYS B 218 28.259 44.933 14.611 1.00 71.99 C ATOM 9447 CG LYS B 218 29.041 46.076 13.943 1.00 76.53 C ATOM 9450 CD LYS B 218 29.452 45.730 12.496 1.00 80.60 C ATOM 9453 CE LYS B 218 30.493 46.715 11.896 1.00 83.08 C ATOM 9456 NZ LYS B 218 31.690 46.955 12.763 1.00 84.11 N ATOM 9460 C LYS B 218 26.229 45.322 16.063 1.00 66.79 C ATOM 9461 O LYS B 218 25.578 46.202 15.509 1.00 63.62 O ATOM 9462 N GLU B 219 25.659 44.352 16.743 1.00 64.08 N ATOM 9464 CA GLU B 219 24.222 44.244 16.800 1.00 66.34 C ATOM 9466 CB GLU B 219 23.839 42.798 17.059 1.00 69.58 C ATOM 9469 CG GLU B 219 24.551 41.798 16.166 1.00 71.88 C ATOM 9472 CD GLU B 219 23.800 41.529 14.875 1.00 78.40 C ATOM 9473 OE1 GLU B 219 22.637 42.002 14.721 1.00 72.86 O ATOM 9474 OE2 GLU B 219 24.389 40.835 14.009 1.00 85.55 O ATOM 9475 C GLU B 219 23.691 45.065 17.931 1.00 65.05 C ATOM 9476 O GLU B 219 22.528 45.438 17.961 1.00 63.97 O ATOM 9477 N TYR B 220 24.550 45.342 18.888 1.00 65.15 N ATOM 9479 CA TYR B 220 24.080 45.993 20.070 1.00 62.09 C ATOM 9481 CB TYR B 220 25.134 45.900 21.179 1.00 62.12 C ATOM 9484 CG TYR B 220 25.409 44.536 21.845 1.00 56.86 C ATOM 9485 CD1 TYR B 220 26.716 44.158 22.123 1.00 60.11 C ATOM 9487 CE1 TYR B 220 27.019 42.952 22.738 1.00 59.02 C ATOM 9489 CZ TYR B 220 26.013 42.097 23.090 1.00 60.03 C ATOM 9490 OH TYR B 220 26.387 40.915 23.694 1.00 65.94 O ATOM 9492 CE2 TYR B 220 24.689 42.438 22.840 1.00 57.10 C ATOM 9494 CD2 TYR B 220 24.396 43.658 22.216 1.00 55.80 C ATOM 9496 C TYR B 220 23.817 47.430 19.628 1.00 61.17 C ATOM 9497 O TYR B 220 22.944 48.103 20.158 1.00 64.67 O ATOM 9498 N ASN B 221 24.569 47.880 18.628 1.00 59.63 N ATOM 9500 CA ASN B 221 24.486 49.244 18.114 1.00 56.38 C ATOM 9502 CB ASN B 221 25.865 49.780 18.037 1.00 53.93 C ATOM 9505 CG ASN B 221 26.510 49.843 19.322 1.00 51.48 C ATOM 9506 OD1 ASN B 221 26.001 50.434 20.257 1.00 51.50 O ATOM 9507 ND2 ASN B 221 27.686 49.245 19.405 1.00 56.63 N ATOM 9510 C ASN B 221 23.971 49.285 16.692 1.00 58.77 C ATOM 9511 O ASN B 221 24.232 50.236 15.890 1.00 59.98 O ATOM 9512 N TYR B 222 23.235 48.249 16.362 1.00 59.18 N ATOM 9514 CA TYR B 222 22.870 48.096 14.998 1.00 60.10 C ATOM 9516 CB TYR B 222 22.291 46.743 14.649 1.00 64.25 C ATOM 9519 CG TYR B 222 21.579 46.790 13.336 1.00 65.11 C ATOM 9520 CD1 TYR B 222 22.008 47.632 12.328 1.00 67.45 C ATOM 9522 CE1 TYR B 222 21.356 47.679 11.135 1.00 68.44 C ATOM 9524 CZ TYR B 222 20.261 46.875 10.941 1.00 68.04 C ATOM 9525 OH TYR B 222 19.605 46.913 9.760 1.00 72.86 O ATOM 9527 CE2 TYR B 222 19.814 46.037 11.916 1.00 65.98 C ATOM 9529 CD2 TYR B 222 20.470 45.999 13.105 1.00 66.41 C ATOM 9531 C TYR B 222 21.922 49.157 14.671 1.00 57.69 C ATOM 9532 O TYR B 222 20.737 49.117 14.993 1.00 57.52 O ATOM 9533 N ASP B 223 22.571 50.101 14.023 1.00 58.59 N ATOM 9535 CA ASP B 223 22.058 51.250 13.316 1.00 57.20 C ATOM 9537 CB ASP B 223 20.511 51.264 13.178 1.00 62.18 C ATOM 9540 CG ASP B 223 19.929 52.514 12.350 1.00 65.70 C ATOM 9541 OD1 ASP B 223 19.045 53.192 12.919 1.00 72.63 O ATOM 9542 OD2 ASP B 223 20.243 52.884 11.172 1.00 60.60 O ATOM 9543 C ASP B 223 22.694 52.313 14.142 1.00 52.54 C ATOM 9544 O ASP B 223 23.514 53.049 13.659 1.00 53.53 O ATOM 9545 N LYS B 224 22.364 52.357 15.416 1.00 55.48 N ATOM 9547 CA LYS B 224 22.905 53.373 16.312 1.00 53.90 C ATOM 9549 CB LYS B 224 22.306 54.743 16.002 1.00 55.04 C ATOM 9552 CG LYS B 224 20.794 54.865 16.179 1.00 52.13 C ATOM 9555 CD LYS B 224 20.386 56.306 15.817 1.00 47.46 C ATOM 9558 CE LYS B 224 18.962 56.435 15.312 1.00 47.23 C ATOM 9561 NZ LYS B 224 18.922 56.181 13.825 1.00 47.81 N ATOM 9565 C LYS B 224 22.640 53.044 17.752 1.00 55.74 C ATOM 9566 O LYS B 224 22.165 51.982 18.073 1.00 56.88 O ATOM 9567 N SER B 225 22.974 53.966 18.632 1.00 59.75 N ATOM 9569 CA SER B 225 22.735 53.775 20.046 1.00 58.65 C ATOM 9571 CB SER B 225 23.820 52.902 20.666 1.00 58.31 C ATOM 9574 OG SER B 225 23.410 51.542 20.653 1.00 64.32 O ATOM 9576 C SER B 225 22.795 55.133 20.625 1.00 51.40 C ATOM 9577 O SER B 225 23.838 55.743 20.585 1.00 52.21 O ATOM 9578 N ILE B 226 21.681 55.609 21.159 1.00 48.97 N ATOM 9580 CA ILE B 226 21.652 56.966 21.677 1.00 47.18 C ATOM 9582 CB ILE B 226 20.782 57.870 20.775 1.00 42.41 C ATOM 9584 CG1 ILE B 226 19.421 57.276 20.563 1.00 36.20 C ATOM 9587 CD1 ILE B 226 18.355 58.275 20.220 1.00 36.28 C ATOM 9591 CG2 ILE B 226 21.425 58.015 19.433 1.00 45.19 C ATOM 9595 C ILE B 226 21.191 57.023 23.126 1.00 45.97 C ATOM 9596 O ILE B 226 20.610 56.051 23.598 1.00 43.09 O ATOM 9597 N VAL B 227 21.491 58.152 23.797 1.00 43.58 N ATOM 9599 CA VAL B 227 21.061 58.457 25.177 1.00 44.91 C ATOM 9601 CB VAL B 227 22.211 59.070 26.001 1.00 40.77 C ATOM 9603 CG1 VAL B 227 21.726 59.493 27.313 1.00 40.80 C ATOM 9607 CG2 VAL B 227 23.360 58.096 26.187 1.00 38.82 C ATOM 9611 C VAL B 227 19.926 59.511 25.104 1.00 48.95 C ATOM 9612 O VAL B 227 20.150 60.617 24.596 1.00 50.25 O ATOM 9613 N ASP B 228 18.730 59.205 25.624 1.00 44.84 N ATOM 9615 CA ASP B 228 17.565 60.043 25.336 1.00 40.47 C ATOM 9617 CB ASP B 228 16.936 59.514 24.036 1.00 38.92 C ATOM 9620 CG ASP B 228 15.690 60.286 23.615 1.00 45.59 C ATOM 9621 OD1 ASP B 228 15.409 61.367 24.161 1.00 41.67 O ATOM 9622 OD2 ASP B 228 14.903 59.871 22.744 1.00 55.53 O ATOM 9623 C ASP B 228 16.512 60.133 26.470 1.00 43.36 C ATOM 9624 O ASP B 228 15.725 59.217 26.694 1.00 38.56 O ATOM 9625 N SER B 229 16.488 61.267 27.164 1.00 47.36 N ATOM 9627 CA SER B 229 15.612 61.464 28.310 1.00 47.52 C ATOM 9629 CB SER B 229 16.147 62.621 29.118 1.00 47.91 C ATOM 9632 OG SER B 229 16.818 63.473 28.231 1.00 51.18 O ATOM 9634 C SER B 229 14.158 61.708 27.934 1.00 49.38 C ATOM 9635 O SER B 229 13.330 61.994 28.798 1.00 54.96 O ATOM 9636 N GLY B 230 13.854 61.632 26.644 1.00 48.92 N ATOM 9638 CA GLY B 230 12.481 61.753 26.176 1.00 45.57 C ATOM 9641 C GLY B 230 11.935 60.429 25.637 1.00 48.29 C ATOM 9642 O GLY B 230 10.833 60.372 25.085 1.00 40.94 O ATOM 9643 N THR B 231 12.735 59.372 25.785 1.00 45.26 N ATOM 9645 CA THR B 231 12.303 58.035 25.516 1.00 43.47 C ATOM 9647 CB THR B 231 13.349 57.260 24.743 1.00 44.17 C ATOM 9649 OG1 THR B 231 13.221 57.526 23.350 1.00 52.04 O ATOM 9651 CG2 THR B 231 13.075 55.769 24.829 1.00 43.12 C ATOM 9655 C THR B 231 12.171 57.381 26.865 1.00 43.15 C ATOM 9656 O THR B 231 13.088 57.379 27.628 1.00 49.59 O ATOM 9657 N THR B 232 11.031 56.804 27.149 1.00 45.08 N ATOM 9659 CA THR B 232 10.801 56.103 28.393 1.00 46.07 C ATOM 9661 CB THR B 232 9.344 55.581 28.375 1.00 43.69 C ATOM 9663 OG1 THR B 232 8.475 56.653 27.964 1.00 49.53 O ATOM 9665 CG2 THR B 232 8.867 55.276 29.748 1.00 43.76 C ATOM 9669 C THR B 232 11.759 54.905 28.630 1.00 49.16 C ATOM 9670 O THR B 232 12.563 54.922 29.567 1.00 51.59 O ATOM 9671 N ASN B 233 11.660 53.899 27.757 1.00 51.81 N ATOM 9673 CA ASN B 233 12.327 52.604 27.879 1.00 50.18 C ATOM 9675 CB ASN B 233 11.655 51.566 26.967 1.00 52.42 C ATOM 9678 CG ASN B 233 10.276 51.148 27.383 1.00 52.34 C ATOM 9679 OD1 ASN B 233 9.680 51.677 28.321 1.00 50.82 O ATOM 9680 ND2 ASN B 233 9.750 50.153 26.650 1.00 52.61 N ATOM 9683 C ASN B 233 13.729 52.350 27.416 1.00 47.14 C ATOM 9684 O ASN B 233 14.259 52.963 26.555 1.00 46.63 O ATOM 9685 N LEU B 234 14.306 51.355 28.019 1.00 47.70 N ATOM 9687 CA LEU B 234 15.430 50.768 27.402 1.00 51.03 C ATOM 9689 CB LEU B 234 15.903 49.591 28.256 1.00 47.48 C ATOM 9692 CG LEU B 234 17.388 49.421 28.108 1.00 44.91 C ATOM 9694 CD1 LEU B 234 17.926 48.199 28.788 1.00 47.69 C ATOM 9698 CD2 LEU B 234 17.643 49.365 26.676 1.00 49.15 C ATOM 9702 C LEU B 234 14.716 50.251 26.142 1.00 53.66 C ATOM 9703 O LEU B 234 13.639 49.694 26.270 1.00 57.67 O ATOM 9704 N ARG B 235 15.262 50.431 24.945 1.00 54.47 N ATOM 9706 CA ARG B 235 14.628 49.892 23.749 1.00 50.55 C ATOM 9708 CB ARG B 235 14.146 50.948 22.782 1.00 54.70 C ATOM 9711 CG ARG B 235 13.090 51.958 23.232 1.00 60.77 C ATOM 9714 CD ARG B 235 11.610 51.498 23.022 1.00 63.38 C ATOM 9717 NE ARG B 235 10.905 52.094 21.882 1.00 65.81 N ATOM 9719 CZ ARG B 235 10.487 51.422 20.806 1.00 68.02 C ATOM 9720 NH1 ARG B 235 9.854 52.062 19.844 1.00 70.13 N ATOM 9723 NH2 ARG B 235 10.703 50.121 20.678 1.00 68.31 N ATOM 9726 C ARG B 235 15.799 49.326 23.069 1.00 52.73 C ATOM 9727 O ARG B 235 16.794 50.033 22.960 1.00 51.89 O ATOM 9728 N LEU B 236 15.697 48.083 22.591 1.00 53.67 N ATOM 9730 CA LEU B 236 16.816 47.414 21.951 1.00 51.18 C ATOM 9732 CB LEU B 236 17.336 46.273 22.857 1.00 54.12 C ATOM 9735 CG LEU B 236 17.606 46.565 24.346 1.00 54.84 C ATOM 9737 CD1 LEU B 236 17.445 45.294 25.170 1.00 59.47 C ATOM 9741 CD2 LEU B 236 18.988 47.171 24.608 1.00 57.80 C ATOM 9745 C LEU B 236 16.472 46.882 20.555 1.00 49.66 C ATOM 9746 O LEU B 236 15.320 46.574 20.244 1.00 51.23 O ATOM 9747 N PRO B 237 17.516 46.802 19.740 1.00 49.55 N ATOM 9748 CA PRO B 237 17.528 46.266 18.364 1.00 53.89 C ATOM 9750 CB PRO B 237 19.037 46.236 18.036 1.00 52.34 C ATOM 9753 CG PRO B 237 19.634 47.291 18.888 1.00 51.34 C ATOM 9756 CD PRO B 237 18.837 47.302 20.146 1.00 49.53 C ATOM 9759 C PRO B 237 17.003 44.846 18.178 1.00 55.60 C ATOM 9760 O PRO B 237 17.524 43.944 18.794 1.00 51.46 O ATOM 9761 N LYS B 238 16.027 44.660 17.297 1.00 62.69 N ATOM 9763 CA LYS B 238 15.321 43.386 17.149 1.00 62.37 C ATOM 9765 CB LYS B 238 14.847 43.178 15.702 1.00 63.90 C ATOM 9768 CG LYS B 238 14.017 41.850 15.476 1.00 67.48 C ATOM 9771 CD LYS B 238 12.652 41.826 16.191 1.00 70.44 C ATOM 9774 CE LYS B 238 12.375 40.445 16.872 1.00 75.03 C ATOM 9777 NZ LYS B 238 10.906 40.068 17.069 1.00 74.40 N ATOM 9781 C LYS B 238 16.015 42.134 17.728 1.00 60.78 C ATOM 9782 O LYS B 238 15.417 41.472 18.563 1.00 63.50 O ATOM 9783 N LYS B 239 17.242 41.808 17.318 1.00 62.12 N ATOM 9785 CA LYS B 239 17.976 40.613 17.832 1.00 62.88 C ATOM 9787 CB LYS B 239 19.245 40.375 17.004 1.00 63.86 C ATOM 9790 CG LYS B 239 19.081 39.310 15.932 1.00 71.17 C ATOM 9793 CD LYS B 239 20.316 39.144 15.035 1.00 73.03 C ATOM 9796 CE LYS B 239 20.418 37.713 14.440 1.00 74.08 C ATOM 9799 NZ LYS B 239 20.797 37.688 12.972 1.00 69.81 N ATOM 9803 C LYS B 239 18.422 40.587 19.317 1.00 63.28 C ATOM 9804 O LYS B 239 18.587 39.508 19.896 1.00 62.95 O ATOM 9805 N VAL B 240 18.627 41.760 19.915 1.00 58.01 N ATOM 9807 CA VAL B 240 19.131 41.875 21.269 1.00 54.79 C ATOM 9809 CB VAL B 240 19.827 43.225 21.427 1.00 58.03 C ATOM 9811 CG1 VAL B 240 20.256 43.484 22.875 1.00 57.45 C ATOM 9815 CG2 VAL B 240 21.047 43.292 20.450 1.00 57.36 C ATOM 9819 C VAL B 240 17.964 41.707 22.220 1.00 56.00 C ATOM 9820 O VAL B 240 17.980 40.890 23.143 1.00 52.22 O ATOM 9821 N PHE B 241 16.928 42.488 22.012 1.00 55.23 N ATOM 9823 CA PHE B 241 15.725 42.212 22.742 1.00 53.80 C ATOM 9825 CB PHE B 241 14.545 42.796 22.032 1.00 51.30 C ATOM 9828 CG PHE B 241 13.300 42.770 22.822 1.00 47.65 C ATOM 9829 CD1 PHE B 241 13.154 43.590 23.937 1.00 48.68 C ATOM 9831 CE1 PHE B 241 11.997 43.588 24.677 1.00 50.08 C ATOM 9833 CZ PHE B 241 10.952 42.755 24.315 1.00 51.83 C ATOM 9835 CE2 PHE B 241 11.085 41.930 23.193 1.00 54.34 C ATOM 9837 CD2 PHE B 241 12.267 41.953 22.451 1.00 52.82 C ATOM 9839 C PHE B 241 15.546 40.714 22.793 1.00 55.05 C ATOM 9840 O PHE B 241 15.660 40.121 23.852 1.00 58.72 O ATOM 9841 N GLU B 242 15.296 40.080 21.651 1.00 58.90 N ATOM 9843 CA GLU B 242 14.915 38.650 21.665 1.00 61.77 C ATOM 9845 CB GLU B 242 14.771 38.033 20.255 1.00 64.23 C ATOM 9848 CG GLU B 242 13.434 38.214 19.518 1.00 66.72 C ATOM 9851 CD GLU B 242 12.187 37.837 20.319 1.00 73.25 C ATOM 9852 OE1 GLU B 242 11.766 36.659 20.267 1.00 74.25 O ATOM 9853 OE2 GLU B 242 11.605 38.724 20.997 1.00 80.65 O ATOM 9854 C GLU B 242 15.946 37.859 22.473 1.00 60.51 C ATOM 9855 O GLU B 242 15.606 37.063 23.317 1.00 61.16 O ATOM 9856 N ALA B 243 17.221 38.094 22.222 1.00 59.55 N ATOM 9858 CA ALA B 243 18.246 37.412 22.981 1.00 54.76 C ATOM 9860 CB ALA B 243 19.628 37.910 22.546 1.00 50.14 C ATOM 9864 C ALA B 243 18.056 37.628 24.480 1.00 57.05 C ATOM 9865 O ALA B 243 18.157 36.691 25.272 1.00 60.16 O ATOM 9866 N ALA B 244 17.764 38.868 24.872 1.00 60.67 N ATOM 9868 CA ALA B 244 17.847 39.252 26.277 1.00 56.99 C ATOM 9870 CB ALA B 244 17.983 40.721 26.396 1.00 54.73 C ATOM 9874 C ALA B 244 16.670 38.756 27.039 1.00 57.52 C ATOM 9875 O ALA B 244 16.814 38.027 28.022 1.00 66.61 O ATOM 9876 N VAL B 245 15.497 39.121 26.578 1.00 58.39 N ATOM 9878 CA VAL B 245 14.264 38.628 27.182 1.00 57.61 C ATOM 9880 CB VAL B 245 13.084 38.947 26.272 1.00 55.77 C ATOM 9882 CG1 VAL B 245 11.921 38.046 26.582 1.00 60.16 C ATOM 9886 CG2 VAL B 245 12.682 40.395 26.425 1.00 55.68 C ATOM 9890 C VAL B 245 14.276 37.104 27.445 1.00 56.76 C ATOM 9891 O VAL B 245 13.735 36.630 28.457 1.00 58.98 O ATOM 9892 N LYS B 246 14.863 36.289 26.581 1.00 54.47 N ATOM 9894 CA LYS B 246 14.782 34.895 26.954 1.00 59.19 C ATOM 9896 CB LYS B 246 15.091 33.852 25.848 1.00 58.81 C ATOM 9899 CG LYS B 246 16.412 33.840 25.110 1.00 66.67 C ATOM 9902 CD LYS B 246 16.771 32.349 24.732 1.00 73.69 C ATOM 9905 CE LYS B 246 17.214 32.133 23.273 1.00 77.68 C ATOM 9908 NZ LYS B 246 17.712 30.722 23.053 1.00 78.54 N ATOM 9912 C LYS B 246 15.610 34.750 28.221 1.00 60.14 C ATOM 9913 O LYS B 246 15.229 34.049 29.153 1.00 59.34 O ATOM 9914 N SER B 247 16.715 35.484 28.265 1.00 59.55 N ATOM 9916 CA SER B 247 17.663 35.354 29.355 1.00 58.72 C ATOM 9918 CB SER B 247 18.952 36.101 29.017 1.00 57.44 C ATOM 9921 OG SER B 247 20.044 35.581 29.739 1.00 59.12 O ATOM 9923 C SER B 247 17.082 35.830 30.676 1.00 58.15 C ATOM 9924 O SER B 247 17.282 35.207 31.709 1.00 61.22 O ATOM 9925 N ILE B 248 16.339 36.915 30.632 1.00 55.00 N ATOM 9927 CA ILE B 248 15.793 37.501 31.837 1.00 53.84 C ATOM 9929 CB ILE B 248 15.123 38.845 31.474 1.00 53.06 C ATOM 9931 CG1 ILE B 248 16.196 39.788 30.939 1.00 51.58 C ATOM 9934 CD1 ILE B 248 15.656 41.103 30.457 1.00 55.81 C ATOM 9938 CG2 ILE B 248 14.381 39.461 32.661 1.00 52.52 C ATOM 9942 C ILE B 248 14.821 36.536 32.460 1.00 54.27 C ATOM 9943 O ILE B 248 14.720 36.477 33.668 1.00 51.87 O ATOM 9944 N LYS B 249 14.114 35.784 31.619 1.00 58.95 N ATOM 9946 CA LYS B 249 13.080 34.863 32.076 1.00 63.35 C ATOM 9948 CB LYS B 249 12.386 34.163 30.895 1.00 67.38 C ATOM 9951 CG LYS B 249 11.566 35.076 29.969 1.00 71.83 C ATOM 9954 CD LYS B 249 10.893 34.193 28.921 1.00 72.34 C ATOM 9957 CE LYS B 249 10.025 34.974 27.965 1.00 74.28 C ATOM 9960 NZ LYS B 249 10.188 34.448 26.585 1.00 75.13 N ATOM 9964 C LYS B 249 13.828 33.829 32.836 1.00 64.05 C ATOM 9965 O LYS B 249 13.596 33.579 34.028 1.00 66.66 O ATOM 9966 N ALA B 250 14.755 33.235 32.098 1.00 60.44 N ATOM 9968 CA ALA B 250 15.572 32.211 32.626 1.00 52.39 C ATOM 9970 CB ALA B 250 16.787 32.061 31.812 1.00 47.35 C ATOM 9974 C ALA B 250 15.897 32.687 33.993 1.00 53.08 C ATOM 9975 O ALA B 250 15.492 32.096 34.986 1.00 60.98 O ATOM 9976 N ALA B 251 16.602 33.792 34.071 1.00 55.04 N ATOM 9978 CA ALA B 251 17.098 34.209 35.367 1.00 52.66 C ATOM 9980 CB ALA B 251 17.817 35.549 35.273 1.00 50.20 C ATOM 9984 C ALA B 251 15.943 34.276 36.333 1.00 52.91 C ATOM 9985 O ALA B 251 16.084 33.908 37.476 1.00 63.90 O ATOM 9986 N SER B 252 14.786 34.706 35.865 1.00 51.39 N ATOM 9988 CA SER B 252 13.655 34.931 36.738 1.00 47.50 C ATOM 9990 CB SER B 252 12.838 36.112 36.195 1.00 45.09 C ATOM 9993 OG SER B 252 12.937 36.176 34.777 1.00 44.57 O ATOM 9995 C SER B 252 12.744 33.741 36.858 1.00 46.38 C ATOM 9996 O SER B 252 11.696 33.817 37.506 1.00 52.86 O ATOM 9997 N SER B 253 13.095 32.626 36.257 1.00 46.89 N ATOM 9999 CA SER B 253 12.113 31.515 36.239 1.00 51.70 C ATOM 10001 CB SER B 253 12.694 30.258 35.673 1.00 49.29 C ATOM 10004 OG SER B 253 12.622 29.350 36.744 1.00 50.36 O ATOM 10006 C SER B 253 11.493 31.064 37.584 1.00 50.23 C ATOM 10007 O SER B 253 10.549 30.335 37.570 1.00 48.06 O ATOM 10008 N THR B 254 11.992 31.448 38.743 1.00 54.64 N ATOM 10010 CA THR B 254 11.303 30.979 39.944 1.00 55.86 C ATOM 10012 CB THR B 254 11.876 31.518 41.285 1.00 55.22 C ATOM 10014 OG1 THR B 254 12.383 32.851 41.131 1.00 59.23 O ATOM 10016 CG2 THR B 254 13.081 30.702 41.690 1.00 57.98 C ATOM 10020 C THR B 254 9.853 31.304 39.850 1.00 56.31 C ATOM 10021 O THR B 254 9.067 30.740 40.587 1.00 58.63 O ATOM 10022 N GLU B 255 9.496 32.222 38.954 1.00 63.22 N ATOM 10024 CA GLU B 255 8.081 32.520 38.661 1.00 64.71 C ATOM 10026 CB GLU B 255 7.691 33.884 39.210 1.00 64.18 C ATOM 10029 CG GLU B 255 7.814 33.921 40.721 1.00 65.62 C ATOM 10032 CD GLU B 255 6.988 35.013 41.364 1.00 65.81 C ATOM 10033 OE1 GLU B 255 5.941 35.412 40.801 1.00 65.88 O ATOM 10034 OE2 GLU B 255 7.398 35.458 42.452 1.00 67.44 O ATOM 10035 C GLU B 255 7.843 32.474 37.155 1.00 65.92 C ATOM 10036 O GLU B 255 8.761 32.231 36.374 1.00 67.96 O ATOM 10037 N LYS B 256 6.611 32.686 36.737 1.00 64.15 N ATOM 10039 CA LYS B 256 6.347 32.771 35.319 1.00 62.25 C ATOM 10041 CB LYS B 256 5.753 31.487 34.780 1.00 65.89 C ATOM 10044 CG LYS B 256 6.795 30.358 34.631 1.00 70.21 C ATOM 10047 CD LYS B 256 7.580 30.472 33.304 1.00 71.31 C ATOM 10050 CE LYS B 256 8.688 29.418 33.197 1.00 70.80 C ATOM 10053 NZ LYS B 256 9.037 28.832 34.535 1.00 71.41 N ATOM 10057 C LYS B 256 5.414 33.918 35.091 1.00 61.03 C ATOM 10058 O LYS B 256 4.620 34.277 35.977 1.00 57.24 O ATOM 10059 N PHE B 257 5.522 34.500 33.903 1.00 57.37 N ATOM 10061 CA PHE B 257 4.700 35.632 33.563 1.00 58.14 C ATOM 10063 CB PHE B 257 5.557 36.904 33.635 1.00 57.69 C ATOM 10066 CG PHE B 257 6.262 37.095 34.971 1.00 52.26 C ATOM 10067 CD1 PHE B 257 7.620 36.875 35.098 1.00 55.74 C ATOM 10069 CE1 PHE B 257 8.248 37.044 36.298 1.00 55.86 C ATOM 10071 CZ PHE B 257 7.530 37.444 37.391 1.00 56.14 C ATOM 10073 CE2 PHE B 257 6.194 37.666 37.274 1.00 54.82 C ATOM 10075 CD2 PHE B 257 5.569 37.490 36.073 1.00 49.91 C ATOM 10077 C PHE B 257 4.089 35.397 32.177 1.00 61.13 C ATOM 10078 O PHE B 257 4.687 34.705 31.356 1.00 60.35 O ATOM 10079 N PRO B 258 2.902 35.964 31.934 1.00 64.44 N ATOM 10080 CA PRO B 258 2.175 35.834 30.651 1.00 67.15 C ATOM 10082 CB PRO B 258 0.765 36.286 31.018 1.00 65.96 C ATOM 10085 CG PRO B 258 0.946 37.246 32.161 1.00 63.58 C ATOM 10088 CD PRO B 258 2.172 36.804 32.906 1.00 63.13 C ATOM 10091 C PRO B 258 2.740 36.758 29.561 1.00 71.79 C ATOM 10092 O PRO B 258 2.885 37.952 29.830 1.00 76.81 O ATOM 10093 N ASP B 259 3.010 36.250 28.357 1.00 73.38 N ATOM 10095 CA ASP B 259 3.820 36.980 27.356 1.00 75.86 C ATOM 10097 CB ASP B 259 3.890 36.221 26.029 1.00 77.62 C ATOM 10100 CG ASP B 259 3.803 34.701 26.222 1.00 78.97 C ATOM 10101 OD1 ASP B 259 4.731 33.953 25.816 1.00 64.34 O ATOM 10102 OD2 ASP B 259 2.814 34.178 26.786 1.00 80.20 O ATOM 10103 C ASP B 259 3.443 38.429 27.102 1.00 76.48 C ATOM 10104 O ASP B 259 4.216 39.183 26.500 1.00 74.95 O ATOM 10105 N GLY B 260 2.259 38.822 27.548 1.00 75.19 N ATOM 10107 CA GLY B 260 1.905 40.221 27.489 1.00 72.78 C ATOM 10110 C GLY B 260 2.926 40.966 28.316 1.00 68.86 C ATOM 10111 O GLY B 260 3.429 41.998 27.885 1.00 70.54 O ATOM 10112 N PHE B 261 3.239 40.425 29.495 1.00 65.94 N ATOM 10114 CA PHE B 261 4.187 41.062 30.408 1.00 61.43 C ATOM 10116 CB PHE B 261 4.317 40.311 31.709 1.00 56.82 C ATOM 10119 CG PHE B 261 5.391 40.871 32.570 1.00 54.73 C ATOM 10120 CD1 PHE B 261 5.126 41.944 33.382 1.00 51.57 C ATOM 10122 CE1 PHE B 261 6.106 42.488 34.188 1.00 51.52 C ATOM 10124 CZ PHE B 261 7.365 41.961 34.166 1.00 57.72 C ATOM 10126 CE2 PHE B 261 7.658 40.876 33.345 1.00 57.74 C ATOM 10128 CD2 PHE B 261 6.676 40.343 32.550 1.00 59.54 C ATOM 10130 C PHE B 261 5.603 41.195 29.876 1.00 57.86 C ATOM 10131 O PHE B 261 6.386 41.981 30.377 1.00 68.09 O ATOM 10132 N TRP B 262 5.954 40.389 28.892 1.00 56.00 N ATOM 10134 CA TRP B 262 7.253 40.518 28.263 1.00 56.28 C ATOM 10136 CB TRP B 262 7.932 39.170 28.049 1.00 54.41 C ATOM 10139 CG TRP B 262 8.136 38.278 29.238 1.00 55.03 C ATOM 10140 CD1 TRP B 262 7.407 37.184 29.525 1.00 52.81 C ATOM 10142 NE1 TRP B 262 7.866 36.578 30.669 1.00 58.02 N ATOM 10144 CE2 TRP B 262 8.931 37.281 31.156 1.00 56.77 C ATOM 10145 CD2 TRP B 262 9.135 38.379 30.276 1.00 63.26 C ATOM 10146 CE3 TRP B 262 10.180 39.274 30.552 1.00 54.90 C ATOM 10148 CZ3 TRP B 262 10.970 39.046 31.685 1.00 55.79 C ATOM 10150 CH2 TRP B 262 10.733 37.955 32.537 1.00 54.57 C ATOM 10152 CZ2 TRP B 262 9.717 37.063 32.288 1.00 53.00 C ATOM 10154 C TRP B 262 7.104 41.282 26.932 1.00 55.99 C ATOM 10155 O TRP B 262 8.062 41.510 26.231 1.00 59.38 O ATOM 10156 N LEU B 263 5.907 41.686 26.565 1.00 57.34 N ATOM 10158 CA LEU B 263 5.811 42.625 25.461 1.00 55.32 C ATOM 10160 CB LEU B 263 4.939 42.116 24.311 1.00 55.06 C ATOM 10163 CG LEU B 263 5.272 40.716 23.756 1.00 50.87 C ATOM 10165 CD1 LEU B 263 4.008 40.071 23.221 1.00 53.49 C ATOM 10169 CD2 LEU B 263 6.315 40.711 22.680 1.00 50.09 C ATOM 10173 C LEU B 263 5.282 43.907 26.099 1.00 57.11 C ATOM 10174 O LEU B 263 4.669 44.749 25.449 1.00 62.05 O ATOM 10175 N GLY B 264 5.520 44.039 27.400 1.00 58.91 N ATOM 10177 CA GLY B 264 5.227 45.268 28.129 1.00 59.68 C ATOM 10180 C GLY B 264 3.855 45.865 27.896 1.00 59.63 C ATOM 10181 O GLY B 264 3.643 47.054 28.142 1.00 64.20 O ATOM 10182 N GLU B 265 2.918 45.042 27.441 1.00 60.98 N ATOM 10184 CA GLU B 265 1.547 45.480 27.189 1.00 64.98 C ATOM 10186 CB GLU B 265 0.878 44.484 26.249 1.00 66.91 C ATOM 10189 CG GLU B 265 0.967 44.902 24.795 1.00 74.60 C ATOM 10192 CD GLU B 265 0.904 43.720 23.835 1.00 81.19 C ATOM 10193 OE1 GLU B 265 1.023 43.968 22.603 1.00 80.62 O ATOM 10194 OE2 GLU B 265 0.734 42.556 24.311 1.00 85.40 O ATOM 10195 C GLU B 265 0.674 45.595 28.433 1.00 66.06 C ATOM 10196 O GLU B 265 −0.178 46.471 28.534 1.00 67.79 O ATOM 10197 N GLN B 266 0.890 44.677 29.368 1.00 65.41 N ATOM 10199 CA GLN B 266 0.029 44.521 30.539 1.00 66.17 C ATOM 10201 CB GLN B 266 −0.860 43.299 30.402 1.00 66.49 C ATOM 10204 CG GLN B 266 −0.090 42.024 30.448 1.00 66.76 C ATOM 10207 CD GLN B 266 −0.932 40.851 30.044 1.00 71.05 C ATOM 10208 OE1 GLN B 266 −0.926 40.453 28.881 1.00 78.94 O ATOM 10209 NE2 GLN B 266 −1.660 40.282 30.996 1.00 65.67 N ATOM 10212 C GLN B 266 0.880 44.359 31.773 1.00 66.63 C ATOM 10213 O GLN B 266 1.998 43.881 31.714 1.00 61.37 O ATOM 10214 N LEU B 267 0.335 44.745 32.910 1.00 68.01 N ATOM 10216 CA LEU B 267 1.196 44.910 34.055 1.00 66.65 C ATOM 10218 CB LEU B 267 0.782 46.202 34.780 1.00 64.75 C ATOM 10221 CG LEU B 267 −0.664 46.456 35.117 1.00 61.97 C ATOM 10223 CD1 LEU B 267 −0.953 45.596 36.275 1.00 65.54 C ATOM 10227 CD2 LEU B 267 −0.883 47.886 35.487 1.00 62.67 C ATOM 10231 C LEU B 267 1.305 43.674 34.947 1.00 66.02 C ATOM 10232 O LEU B 267 0.742 42.633 34.643 1.00 65.04 O ATOM 10233 N VAL B 268 2.062 43.779 36.031 1.00 66.18 N ATOM 10235 CA VAL B 268 2.201 42.665 36.966 1.00 63.11 C ATOM 10237 CB VAL B 268 3.526 42.035 36.844 1.00 63.47 C ATOM 10239 CG1 VAL B 268 3.584 40.817 37.674 1.00 65.01 C ATOM 10243 CG2 VAL B 268 3.741 41.689 35.434 1.00 67.71 C ATOM 10247 C VAL B 268 2.089 43.146 38.376 1.00 62.57 C ATOM 10248 O VAL B 268 2.535 44.227 38.723 1.00 64.30 O ATOM 10249 N CYS B 269 1.498 42.320 39.204 1.00 62.51 N ATOM 10251 CA CYS B 269 1.189 42.742 40.543 1.00 62.84 C ATOM 10253 CB CYS B 269 −0.334 42.937 40.667 1.00 64.89 C ATOM 10256 SG CYS B 269 −0.978 44.253 39.612 1.00 68.14 S ATOM 10257 C CYS B 269 1.677 41.778 41.610 1.00 58.60 C ATOM 10258 O CYS B 269 1.707 40.556 41.420 1.00 57.72 O ATOM 10259 N TRP B 270 2.040 42.374 42.731 1.00 50.46 N ATOM 10261 CA TRP B 270 2.483 41.669 43.896 1.00 53.90 C ATOM 10263 CB TRP B 270 3.996 41.833 44.087 1.00 54.89 C ATOM 10266 CG TRP B 270 4.740 40.871 43.267 1.00 55.99 C ATOM 10267 CD1 TRP B 270 4.829 39.543 43.480 1.00 57.11 C ATOM 10269 NE1 TRP B 270 5.601 38.961 42.503 1.00 61.98 N ATOM 10271 CE2 TRP B 270 6.026 39.929 41.633 1.00 61.92 C ATOM 10272 CD2 TRP B 270 5.500 41.145 42.081 1.00 57.92 C ATOM 10273 CE3 TRP B 270 5.793 42.297 41.355 1.00 53.37 C ATOM 10275 CZ3 TRP B 270 6.571 42.199 40.241 1.00 53.54 C ATOM 10277 CH2 TRP B 270 7.083 40.982 39.812 1.00 56.68 C ATOM 10279 CZ2 TRP B 270 6.825 39.834 40.490 1.00 64.93 C ATOM 10281 C TRP B 270 1.753 42.293 45.048 1.00 52.99 C ATOM 10282 O TRP B 270 1.321 43.432 44.976 1.00 52.30 O ATOM 10283 N GLN B 271 1.612 41.554 46.126 1.00 56.53 N ATOM 10285 CA GLN B 271 0.897 42.083 47.267 1.00 58.01 C ATOM 10287 CB GLN B 271 0.936 41.079 48.415 1.00 60.04 C ATOM 10290 CG GLN B 271 0.773 41.648 49.826 1.00 69.55 C ATOM 10293 CD GLN B 271 1.280 40.664 50.910 1.00 75.84 C ATOM 10294 OE1 GLN B 271 2.450 40.268 50.900 1.00 78.40 O ATOM 10295 NE2 GLN B 271 0.392 40.262 51.825 1.00 80.06 N ATOM 10298 C GLN B 271 1.683 43.308 47.553 1.00 54.15 C ATOM 10299 O GLN B 271 2.781 43.454 47.050 1.00 62.98 O ATOM 10300 N ALA B 272 1.162 44.209 48.341 1.00 54.28 N ATOM 10302 CA ALA B 272 1.964 45.351 48.683 1.00 55.76 C ATOM 10304 CB ALA B 272 1.280 46.192 49.767 1.00 54.56 C ATOM 10308 C ALA B 272 3.325 44.876 49.169 1.00 57.86 C ATOM 10309 O ALA B 272 3.497 43.739 49.579 1.00 57.62 O ATOM 10310 N GLY B 273 4.296 45.776 49.067 1.00 64.15 N ATOM 10312 CA GLY B 273 5.605 45.660 49.699 1.00 62.02 C ATOM 10315 C GLY B 273 6.435 44.431 49.502 1.00 59.47 C ATOM 10316 O GLY B 273 7.544 44.376 50.003 1.00 62.91 O ATOM 10317 N THR B 274 5.926 43.467 48.751 1.00 59.03 N ATOM 10319 CA THR B 274 6.529 42.155 48.713 1.00 52.35 C ATOM 10321 CB THR B 274 5.483 41.091 49.087 1.00 58.59 C ATOM 10323 OG1 THR B 274 4.574 40.872 47.988 1.00 54.95 O ATOM 10325 CG2 THR B 274 4.593 41.579 50.243 1.00 55.11 C ATOM 10329 C THR B 274 6.971 41.857 47.351 1.00 46.12 C ATOM 10330 O THR B 274 6.961 40.726 46.957 1.00 46.68 O ATOM 10331 N THR B 275 7.332 42.868 46.600 1.00 47.81 N ATOM 10333 CA THR B 275 7.866 42.606 45.291 1.00 48.64 C ATOM 10335 CB THR B 275 8.257 43.907 44.540 1.00 47.68 C ATOM 10337 OG1 THR B 275 7.090 44.596 44.064 1.00 50.08 O ATOM 10339 CG2 THR B 275 9.005 43.551 43.276 1.00 46.87 C ATOM 10343 C THR B 275 9.114 41.783 45.539 1.00 51.15 C ATOM 10344 O THR B 275 9.984 42.143 46.371 1.00 54.79 O ATOM 10345 N PRO B 276 9.190 40.685 44.822 1.00 46.67 N ATOM 10346 CA PRO B 276 10.355 39.808 44.811 1.00 48.43 C ATOM 10348 CB PRO B 276 9.895 38.611 43.955 1.00 50.23 C ATOM 10351 CG PRO B 276 8.574 38.955 43.383 1.00 51.47 C ATOM 10354 CD PRO B 276 8.101 40.227 43.956 1.00 50.10 C ATOM 10357 C PRO B 276 11.557 40.420 44.091 1.00 48.73 C ATOM 10358 O PRO B 276 12.010 39.796 43.088 1.00 44.55 O ATOM 10359 N TRP B 277 12.083 41.567 44.537 1.00 48.39 N ATOM 10361 CA TRP B 277 13.120 42.230 43.711 1.00 48.55 C ATOM 10363 CB TRP B 277 13.740 43.469 44.393 1.00 48.09 C ATOM 10366 CG TRP B 277 12.769 44.677 44.518 1.00 50.79 C ATOM 10367 CD1 TRP B 277 12.309 45.236 45.680 1.00 54.20 C ATOM 10369 NE1 TRP B 277 11.463 46.285 45.412 1.00 46.92 N ATOM 10371 CE2 TRP B 277 11.359 46.429 44.063 1.00 42.74 C ATOM 10372 CD2 TRP B 277 12.164 45.439 43.466 1.00 47.17 C ATOM 10373 CE3 TRP B 277 12.222 45.390 42.078 1.00 51.68 C ATOM 10375 CZ3 TRP B 277 11.486 46.318 41.352 1.00 46.11 C ATOM 10377 CH2 TRP B 277 10.703 47.270 41.991 1.00 45.63 C ATOM 10379 CZ2 TRP B 277 10.626 47.338 43.337 1.00 42.71 C ATOM 10381 C TRP B 277 14.202 41.229 43.271 1.00 45.71 C ATOM 10382 O TRP B 277 14.664 41.180 42.123 1.00 48.22 O ATOM 10383 N ASN B 278 14.594 40.388 44.184 1.00 50.19 N ATOM 10385 CA ASN B 278 15.742 39.549 43.918 1.00 48.45 C ATOM 10387 CB ASN B 278 16.264 39.003 45.227 1.00 53.84 C ATOM 10390 CG ASN B 278 15.300 38.046 45.876 1.00 53.98 C ATOM 10391 OD1 ASN B 278 15.630 36.887 46.122 1.00 58.86 O ATOM 10392 ND2 ASN B 278 14.095 38.528 46.162 1.00 58.00 N ATOM 10395 C ASN B 278 15.579 38.410 42.941 1.00 47.96 C ATOM 10396 O ASN B 278 16.577 37.810 42.616 1.00 48.00 O ATOM 10397 N ILE B 279 14.384 38.074 42.447 1.00 48.44 N ATOM 10399 CA ILE B 279 14.356 36.960 41.496 1.00 44.44 C ATOM 10401 CB ILE B 279 13.006 36.227 41.370 1.00 48.45 C ATOM 10403 CG1 ILE B 279 11.844 37.181 41.143 1.00 53.39 C ATOM 10406 CD1 ILE B 279 10.671 36.467 40.444 1.00 49.91 C ATOM 10410 CG2 ILE B 279 12.724 35.335 42.562 1.00 44.38 C ATOM 10414 C ILE B 279 14.796 37.386 40.131 1.00 47.23 C ATOM 10415 O ILE B 279 15.121 36.515 39.311 1.00 48.85 O ATOM 10416 N PHE B 280 14.809 38.714 39.886 1.00 51.85 N ATOM 10418 CA PHE B 280 15.181 39.313 38.572 1.00 43.99 C ATOM 10420 CB PHE B 280 14.346 40.540 38.196 1.00 47.60 C ATOM 10423 CG PHE B 280 12.840 40.323 38.213 1.00 50.69 C ATOM 10424 CD1 PHE B 280 12.157 40.062 37.040 1.00 47.59 C ATOM 10426 CE1 PHE B 280 10.793 39.871 37.045 1.00 49.69 C ATOM 10428 CZ PHE B 280 10.114 39.944 38.220 1.00 53.43 C ATOM 10430 CE2 PHE B 280 10.792 40.216 39.402 1.00 50.88 C ATOM 10432 CD2 PHE B 280 12.126 40.407 39.395 1.00 44.76 C ATOM 10434 C PHE B 280 16.604 39.788 38.614 1.00 43.94 C ATOM 10435 O PHE B 280 17.114 40.282 39.655 1.00 43.28 O ATOM 10436 N PRO B 281 17.256 39.685 37.473 1.00 37.73 N ATOM 10437 CA PRO B 281 18.668 39.942 37.413 1.00 33.44 C ATOM 10439 CB PRO B 281 19.089 39.028 36.294 1.00 36.50 C ATOM 10442 CG PRO B 281 18.034 39.215 35.300 1.00 38.20 C ATOM 10445 CD PRO B 281 16.737 39.358 36.132 1.00 39.79 C ATOM 10448 C PRO B 281 18.928 41.346 37.036 1.00 36.85 C ATOM 10449 O PRO B 281 18.039 41.984 36.537 1.00 43.97 O ATOM 10450 N VAL B 282 20.144 41.806 37.290 1.00 42.26 N ATOM 10452 CA VAL B 282 20.585 43.141 36.983 1.00 39.23 C ATOM 10454 CB VAL B 282 21.818 43.477 37.809 1.00 43.53 C ATOM 10456 CG1 VAL B 282 21.497 43.457 39.275 1.00 40.33 C ATOM 10460 CG2 VAL B 282 22.988 42.465 37.444 1.00 39.80 C ATOM 10464 C VAL B 282 21.100 43.067 35.569 1.00 41.69 C ATOM 10465 O VAL B 282 21.582 42.011 35.184 1.00 35.21 O ATOM 10466 N ILE B 283 21.025 44.169 34.819 1.00 39.90 N ATOM 10468 CA ILE B 283 21.558 44.219 33.457 1.00 39.37 C ATOM 10470 CB ILE B 283 20.505 44.748 32.505 1.00 40.29 C ATOM 10472 CG1 ILE B 283 19.273 43.855 32.531 1.00 35.95 C ATOM 10475 CD1 ILE B 283 18.066 44.572 32.090 1.00 41.11 C ATOM 10479 CG2 ILE B 283 21.074 44.867 31.102 1.00 33.71 C ATOM 10483 C ILE B 283 22.709 45.198 33.425 1.00 46.04 C ATOM 10484 O ILE B 283 22.691 46.233 34.110 1.00 49.32 O ATOM 10485 N SER B 284 23.709 44.885 32.612 1.00 48.26 N ATOM 10487 CA SER B 284 24.893 45.713 32.522 1.00 46.53 C ATOM 10489 CB SER B 284 26.088 44.939 33.112 1.00 44.99 C ATOM 10492 OG SER B 284 25.927 44.696 34.522 1.00 44.94 O ATOM 10494 C SER B 284 25.206 46.048 31.086 1.00 46.23 C ATOM 10495 O SER B 284 25.284 45.130 30.269 1.00 51.09 O ATOM 10496 N LEU B 285 25.388 47.325 30.764 1.00 41.48 N ATOM 10498 CA LEU B 285 25.877 47.669 29.447 1.00 39.92 C ATOM 10500 CB LEU B 285 24.939 48.679 28.756 1.00 35.47 C ATOM 10503 CG LEU B 285 23.394 48.570 28.921 1.00 38.05 C ATOM 10505 CD1 LEU B 285 22.708 49.787 28.300 1.00 35.50 C ATOM 10509 CD2 LEU B 285 22.717 47.308 28.356 1.00 37.92 C ATOM 10513 C LEU B 285 27.330 48.156 29.671 1.00 39.56 C ATOM 10514 O LEU B 285 27.562 48.901 30.617 1.00 37.44 O ATOM 10515 N TYR B 286 28.288 47.684 28.850 1.00 39.99 N ATOM 10517 CA TYR B 286 29.697 48.167 28.835 1.00 45.00 C ATOM 10519 CB TYR B 286 30.698 47.012 28.685 1.00 46.18 C ATOM 10522 CG TYR B 286 30.744 45.888 29.752 1.00 48.12 C ATOM 10523 CD1 TYR B 286 29.678 45.025 29.975 1.00 47.49 C ATOM 10525 CE1 TYR B 286 29.767 44.036 30.934 1.00 46.99 C ATOM 10527 CZ TYR B 286 30.945 43.911 31.667 1.00 49.87 C ATOM 10528 OH TYR B 286 31.134 42.952 32.643 1.00 45.54 O ATOM 10530 CE2 TYR B 286 31.986 44.753 31.444 1.00 45.24 C ATOM 10532 CD2 TYR B 286 31.892 45.699 30.511 1.00 38.43 C ATOM 10534 C TYR B 286 29.917 49.065 27.602 1.00 46.95 C ATOM 10535 O TYR B 286 29.613 48.633 26.494 1.00 43.90 O ATOM 10536 N LEU B 287 30.480 50.269 27.782 1.00 42.38 N ATOM 10538 CA LEU B 287 30.526 51.257 26.741 1.00 40.41 C ATOM 10540 CB LEU B 287 29.874 52.562 27.203 1.00 39.65 C ATOM 10543 CG LEU B 287 28.487 52.664 27.896 1.00 35.23 C ATOM 10545 CD1 LEU B 287 28.344 53.994 28.625 1.00 37.04 C ATOM 10549 CD2 LEU B 287 27.480 52.558 26.938 1.00 26.22 C ATOM 10553 C LEU B 287 31.960 51.571 26.564 1.00 45.87 C ATOM 10554 O LEU B 287 32.716 51.400 27.474 1.00 51.50 O ATOM 10555 N MET B 288 32.356 52.041 25.401 1.00 50.25 N ATOM 10557 CA MET B 288 33.749 52.315 25.123 1.00 52.89 C ATOM 10559 CB MET B 288 33.884 52.619 23.654 1.00 57.49 C ATOM 10562 CG MET B 288 35.255 52.585 23.075 1.00 59.46 C ATOM 10565 SD MET B 288 35.108 53.029 21.308 1.00 62.39 S ATOM 10566 CE MET B 288 35.316 51.616 20.631 1.00 56.14 C ATOM 10570 C MET B 288 34.157 53.518 25.927 1.00 55.91 C ATOM 10571 O MET B 288 33.354 54.433 26.109 1.00 57.24 O ATOM 10572 N GLY B 289 35.403 53.522 26.405 1.00 56.64 N ATOM 10574 CA GLY B 289 35.911 54.608 27.230 1.00 55.82 C ATOM 10577 C GLY B 289 36.880 55.482 26.473 1.00 58.37 C ATOM 10578 O GLY B 289 37.113 55.267 25.286 1.00 59.88 O ATOM 10579 N GLU B 290 37.460 56.465 27.143 1.00 57.96 N ATOM 10581 CA GLU B 290 38.341 57.390 26.444 1.00 59.77 C ATOM 10583 CB GLU B 290 38.373 58.726 27.150 1.00 59.36 C ATOM 10586 CG GLU B 290 37.021 59.394 27.100 1.00 60.99 C ATOM 10589 CD GLU B 290 37.125 60.824 26.612 1.00 63.85 C ATOM 10590 OE1 GLU B 290 37.333 61.687 27.500 1.00 67.58 O ATOM 10591 OE2 GLU B 290 37.006 61.078 25.360 1.00 50.86 O ATOM 10592 C GLU B 290 39.767 56.919 26.220 1.00 61.97 C ATOM 10593 O GLU B 290 40.377 57.319 25.243 1.00 65.39 O ATOM 10594 N VAL B 291 40.325 56.086 27.090 1.00 62.97 N ATOM 10596 CA VAL B 291 41.697 55.643 26.854 1.00 61.83 C ATOM 10598 CB VAL B 291 42.336 55.119 28.158 1.00 63.23 C ATOM 10600 CG1 VAL B 291 43.820 54.897 27.988 1.00 67.30 C ATOM 10604 CG2 VAL B 291 42.121 56.153 29.281 1.00 66.27 C ATOM 10608 C VAL B 291 41.452 54.644 25.731 1.00 59.22 C ATOM 10609 O VAL B 291 40.303 54.325 25.463 1.00 56.93 O ATOM 10610 N THR B 292 42.468 54.169 25.038 1.00 58.29 N ATOM 10612 CA THR B 292 42.227 53.183 23.969 1.00 59.67 C ATOM 10614 CB THR B 292 43.311 53.327 22.909 1.00 62.91 C ATOM 10616 OG1 THR B 292 42.746 53.895 21.712 1.00 63.26 O ATOM 10618 CG2 THR B 292 43.859 51.953 22.503 1.00 62.53 C ATOM 10622 C THR B 292 42.280 51.766 24.494 1.00 57.76 C ATOM 10623 O THR B 292 43.004 51.517 25.393 1.00 57.85 O ATOM 10624 N GLN B 293 41.535 50.819 23.968 1.00 61.18 N ATOM 10626 CA GLN B 293 41.737 49.429 24.428 1.00 66.82 C ATOM 10628 CB GLN B 293 43.237 49.258 24.806 1.00 71.42 C ATOM 10631 CG GLN B 293 44.001 48.005 24.291 1.00 73.25 C ATOM 10634 CD GLN B 293 45.538 48.253 24.118 1.00 76.24 C ATOM 10635 OE1 GLN B 293 46.178 47.731 23.180 1.00 73.24 O ATOM 10636 NE2 GLN B 293 46.111 49.048 25.015 1.00 73.09 N ATOM 10639 C GLN B 293 40.883 49.060 25.657 1.00 66.33 C ATOM 10640 O GLN B 293 40.602 47.896 25.915 1.00 69.45 O ATOM 10641 N GLN B 294 40.467 50.082 26.386 1.00 64.46 N ATOM 10643 CA GLN B 294 39.810 50.008 27.690 1.00 57.83 C ATOM 10645 CB GLN B 294 40.597 51.054 28.485 1.00 58.59 C ATOM 10648 CG GLN B 294 40.167 51.551 29.826 1.00 57.32 C ATOM 10651 CD GLN B 294 41.418 51.820 30.645 1.00 62.05 C ATOM 10652 OE1 GLN B 294 41.355 52.330 31.755 1.00 72.12 O ATOM 10653 NE2 GLN B 294 42.570 51.468 30.084 1.00 60.53 N ATOM 10656 C GLN B 294 38.287 50.320 27.655 1.00 57.84 C ATOM 10657 O GLN B 294 37.830 51.216 26.906 1.00 56.18 O ATOM 10658 N SER B 295 37.490 49.580 28.443 1.00 54.23 N ATOM 10660 CA SER B 295 36.050 49.896 28.573 1.00 53.45 C ATOM 10662 CB SER B 295 35.178 49.030 27.672 1.00 52.98 C ATOM 10665 OG SER B 295 35.006 47.743 28.227 1.00 55.81 O ATOM 10667 C SER B 295 35.503 49.796 29.978 1.00 49.98 C ATOM 10668 O SER B 295 36.119 49.194 30.832 1.00 47.16 O ATOM 10669 N PHE B 296 34.344 50.406 30.220 1.00 48.76 N ATOM 10671 CA PHE B 296 33.707 50.270 31.525 1.00 46.25 C ATOM 10673 CB PHE B 296 33.853 51.469 32.349 1.00 45.49 C ATOM 10676 CG PHE B 296 32.902 52.449 32.027 1.00 44.22 C ATOM 10677 CD1 PHE B 296 31.723 52.556 32.738 1.00 47.00 C ATOM 10679 CE1 PHE B 296 30.808 53.551 32.396 1.00 39.26 C ATOM 10681 CZ PHE B 296 31.089 54.394 31.341 1.00 40.65 C ATOM 10683 CE2 PHE B 296 32.268 54.266 30.638 1.00 37.93 C ATOM 10685 CD2 PHE B 296 33.159 53.302 30.984 1.00 39.04 C ATOM 10687 C PHE B 296 32.232 49.871 31.423 1.00 48.20 C ATOM 10688 O PHE B 296 31.778 49.499 30.341 1.00 54.42 O ATOM 10689 N ARG B 297 31.501 49.849 32.544 1.00 45.88 N ATOM 10691 CA ARG B 297 30.130 49.426 32.526 1.00 43.75 C ATOM 10693 CB ARG B 297 30.058 47.928 32.696 1.00 46.61 C ATOM 10696 CG ARG B 297 30.812 47.407 33.875 1.00 52.65 C ATOM 10699 CD ARG B 297 30.556 45.919 34.138 1.00 52.49 C ATOM 10702 NE ARG B 297 30.710 45.525 35.546 1.00 51.81 N ATOM 10704 CZ ARG B 297 31.212 44.358 35.939 1.00 48.75 C ATOM 10705 NH1 ARG B 297 31.614 43.487 35.042 1.00 53.62 N ATOM 10708 NH2 ARG B 297 31.317 44.050 37.222 1.00 43.21 N ATOM 10711 C ARG B 297 29.314 50.074 33.615 1.00 47.03 C ATOM 10712 O ARG B 297 29.852 50.469 34.676 1.00 48.02 O ATOM 10713 N ILE B 298 28.010 50.187 33.294 1.00 45.30 N ATOM 10715 CA ILE B 298 26.937 50.674 34.150 1.00 44.58 C ATOM 10717 CB ILE B 298 26.152 51.846 33.497 1.00 42.21 C ATOM 10719 CG1 ILE B 298 25.434 51.391 32.217 1.00 40.03 C ATOM 10722 CD1 ILE B 298 24.548 52.508 31.592 1.00 39.09 C ATOM 10726 CG2 ILE B 298 27.077 52.977 33.228 1.00 43.78 C ATOM 10730 C ILE B 298 25.987 49.471 34.284 1.00 45.83 C ATOM 10731 O ILE B 298 25.735 48.749 33.325 1.00 38.32 O ATOM 10732 N THR B 299 25.443 49.270 35.467 1.00 46.26 N ATOM 10734 CA THR B 299 24.696 48.072 35.721 1.00 47.54 C ATOM 10736 CB THR B 299 25.575 47.181 36.607 1.00 52.72 C ATOM 10738 OG1 THR B 299 26.587 46.537 35.810 1.00 52.36 O ATOM 10740 CG2 THR B 299 24.789 46.025 37.227 1.00 53.54 C ATOM 10744 C THR B 299 23.441 48.459 36.439 1.00 47.53 C ATOM 10745 O THR B 299 23.554 49.107 37.478 1.00 45.39 O ATOM 10746 N ILE B 300 22.265 48.087 35.887 1.00 47.99 N ATOM 10748 CA ILE B 300 20.952 48.367 36.518 1.00 46.84 C ATOM 10750 CB ILE B 300 19.924 49.104 35.627 1.00 46.77 C ATOM 10752 CG1 ILE B 300 19.842 48.506 34.244 1.00 45.61 C ATOM 10755 CD1 ILE B 300 18.475 48.734 33.633 1.00 46.44 C ATOM 10759 CG2 ILE B 300 20.194 50.538 35.586 1.00 52.09 C ATOM 10763 C ILE B 300 20.186 47.167 36.971 1.00 44.73 C ATOM 10764 O ILE B 300 20.413 46.046 36.543 1.00 43.89 O ATOM 10765 N LEU B 301 19.231 47.509 37.816 1.00 46.21 N ATOM 10767 CA LEU B 301 18.355 46.631 38.524 1.00 44.01 C ATOM 10769 CB LEU B 301 18.303 47.094 39.973 1.00 47.01 C ATOM 10772 CG LEU B 301 19.419 47.990 40.471 1.00 40.39 C ATOM 10774 CD1 LEU B 301 19.093 48.496 41.828 1.00 40.91 C ATOM 10778 CD2 LEU B 301 20.671 47.123 40.543 1.00 47.03 C ATOM 10782 C LEU B 301 16.936 46.740 38.060 1.00 46.44 C ATOM 10783 O LEU B 301 16.540 47.644 37.336 1.00 43.22 O ATOM 10784 N PRO B 302 16.136 45.819 38.547 1.00 51.74 N ATOM 10785 CA PRO B 302 14.748 45.738 38.120 1.00 47.89 C ATOM 10787 CB PRO B 302 14.282 44.417 38.721 1.00 51.94 C ATOM 10790 CG PRO B 302 15.105 44.241 39.916 1.00 53.36 C ATOM 10793 CD PRO B 302 16.475 44.793 39.553 1.00 53.46 C ATOM 10796 C PRO B 302 14.008 46.884 38.695 1.00 43.06 C ATOM 10797 O PRO B 302 12.940 47.149 38.231 1.00 42.92 O ATOM 10798 N GLN B 303 14.582 47.561 39.681 1.00 42.87 N ATOM 10800 CA GLN B 303 13.930 48.707 40.253 1.00 42.11 C ATOM 10802 CB GLN B 303 14.625 49.192 41.504 1.00 40.42 C ATOM 10805 CG GLN B 303 14.037 48.667 42.758 1.00 40.53 C ATOM 10808 CD GLN B 303 14.744 47.461 43.285 1.00 43.06 C ATOM 10809 OE1 GLN B 303 15.546 46.827 42.579 1.00 39.84 O ATOM 10810 NE2 GLN B 303 14.449 47.126 44.543 1.00 43.69 N ATOM 10813 C GLN B 303 14.061 49.794 39.271 1.00 45.98 C ATOM 10814 O GLN B 303 13.689 50.934 39.528 1.00 53.51 O ATOM 10815 N GLN B 304 14.602 49.469 38.129 1.00 47.03 N ATOM 10817 CA GLN B 304 14.815 50.478 37.174 1.00 46.42 C ATOM 10819 CB GLN B 304 16.294 50.534 36.921 1.00 48.97 C ATOM 10822 CG GLN B 304 16.894 51.900 37.204 1.00 45.42 C ATOM 10825 CD GLN B 304 17.282 52.050 38.613 1.00 42.60 C ATOM 10826 OE1 GLN B 304 16.869 52.990 39.271 1.00 55.93 O ATOM 10827 NE2 GLN B 304 18.088 51.152 39.088 1.00 43.68 N ATOM 10830 C GLN B 304 14.081 50.144 35.904 1.00 51.85 C ATOM 10831 O GLN B 304 13.344 51.021 35.361 1.00 53.64 O ATOM 10832 N TYR B 305 14.276 48.905 35.420 1.00 49.13 N ATOM 10834 CA TYR B 305 13.624 48.452 34.192 1.00 48.73 C ATOM 10836 CB TYR B 305 14.445 47.418 33.409 1.00 48.24 C ATOM 10839 CG TYR B 305 14.696 46.120 34.075 1.00 45.68 C ATOM 10840 CD1 TYR B 305 13.829 45.057 33.906 1.00 49.08 C ATOM 10842 CE1 TYR B 305 14.056 43.872 34.505 1.00 51.64 C ATOM 10844 CZ TYR B 305 15.186 43.711 35.301 1.00 59.15 C ATOM 10845 OH TYR B 305 15.454 42.500 35.932 1.00 61.84 O ATOM 10847 CE2 TYR B 305 16.063 44.765 35.467 1.00 56.26 C ATOM 10849 CD2 TYR B 305 15.805 45.948 34.857 1.00 48.39 C ATOM 10851 C TYR B 305 12.264 47.897 34.416 1.00 51.41 C ATOM 10852 O TYR B 305 11.637 47.411 33.467 1.00 50.10 O ATOM 10853 N LEU B 306 11.807 47.952 35.662 1.00 51.83 N ATOM 10855 CA LEU B 306 10.481 47.474 35.996 1.00 49.68 C ATOM 10857 CB LEU B 306 10.508 46.481 37.129 1.00 52.01 C ATOM 10860 CG LEU B 306 10.687 45.019 36.827 1.00 51.56 C ATOM 10862 CD1 LEU B 306 10.108 44.267 38.015 1.00 53.34 C ATOM 10866 CD2 LEU B 306 9.924 44.708 35.605 1.00 56.13 C ATOM 10870 C LEU B 306 9.884 48.717 36.499 1.00 50.94 C ATOM 10871 O LEU B 306 10.282 49.209 37.547 1.00 50.28 O ATOM 10872 N ARG B 307 8.908 49.212 35.764 1.00 49.70 N ATOM 10874 CA ARG B 307 8.419 50.538 35.974 1.00 44.12 C ATOM 10876 CB ARG B 307 8.456 51.259 34.633 1.00 38.83 C ATOM 10879 CG ARG B 307 7.667 52.549 34.573 1.00 42.47 C ATOM 10882 CD ARG B 307 7.695 53.176 33.188 1.00 46.67 C ATOM 10885 NE ARG B 307 6.899 52.434 32.208 1.00 49.09 N ATOM 10887 CZ ARG B 307 5.744 52.870 31.717 1.00 55.81 C ATOM 10888 NH1 ARG B 307 5.245 54.035 32.116 1.00 54.72 N ATOM 10891 NH2 ARG B 307 5.072 52.145 30.825 1.00 58.11 N ATOM 10894 C ARG B 307 7.038 50.495 36.548 1.00 46.97 C ATOM 10895 O ARG B 307 6.218 49.805 35.992 1.00 51.21 O ATOM 10896 N PRO B 308 6.799 51.239 37.629 1.00 46.48 N ATOM 10897 CA PRO B 308 5.547 51.289 38.338 1.00 50.59 C ATOM 10899 CB PRO B 308 5.892 52.087 39.593 1.00 48.57 C ATOM 10902 CG PRO B 308 7.261 52.256 39.619 1.00 49.01 C ATOM 10905 CD PRO B 308 7.773 52.123 38.259 1.00 50.08 C ATOM 10908 C PRO B 308 4.465 52.087 37.633 1.00 59.61 C ATOM 10909 O PRO B 308 4.792 52.993 36.867 1.00 64.89 O ATOM 10910 N VAL B 309 3.200 51.774 37.946 1.00 62.04 N ATOM 10912 CA VAL B 309 2.026 52.332 37.288 1.00 64.12 C ATOM 10914 CB VAL B 309 1.720 51.597 35.938 1.00 65.00 C ATOM 10916 CG1 VAL B 309 2.994 51.101 35.294 1.00 63.78 C ATOM 10920 CG2 VAL B 309 0.825 50.415 36.150 1.00 64.85 C ATOM 10924 C VAL B 309 0.810 52.137 38.173 1.00 64.34 C ATOM 10925 O VAL B 309 0.764 51.261 39.002 1.00 55.43 O ATOM 10926 N GLU B 310 −0.215 52.936 37.977 1.00 70.92 N ATOM 10928 CA GLU B 310 −1.368 52.762 38.834 1.00 74.98 C ATOM 10930 CB GLU B 310 −2.380 53.877 38.651 1.00 76.84 C ATOM 10933 CG GLU B 310 −3.286 54.103 39.862 1.00 82.90 C ATOM 10936 CD GLU B 310 −2.610 53.829 41.205 1.00 84.06 C ATOM 10937 OE1 GLU B 310 −2.619 52.653 41.631 1.00 90.22 O ATOM 10938 OE2 GLU B 310 −2.082 54.774 41.841 1.00 83.28 O ATOM 10939 C GLU B 310 −1.978 51.443 38.473 1.00 76.13 C ATOM 10940 O GLU B 310 −1.908 51.029 37.296 1.00 76.20 O ATOM 10941 N ASP B 311 −2.558 50.766 39.470 1.00 78.57 N ATOM 10943 CA ASP B 311 −3.306 49.539 39.182 1.00 82.17 C ATOM 10945 CB ASP B 311 −3.558 48.684 40.441 1.00 82.68 C ATOM 10948 CG ASP B 311 −3.918 47.211 40.111 1.00 83.41 C ATOM 10949 OD1 ASP B 311 −4.210 46.905 38.926 1.00 86.04 O ATOM 10950 OD2 ASP B 311 −3.931 46.295 40.976 1.00 76.70 O ATOM 10951 C ASP B 311 −4.643 49.948 38.570 1.00 83.78 C ATOM 10952 O ASP B 311 −5.174 51.026 38.867 1.00 81.54 O ATOM 10953 N VAL B 312 −5.172 49.100 37.707 1.00 85.51 N ATOM 10955 CA VAL B 312 −6.496 49.341 37.181 1.00 88.99 C ATOM 10957 CB VAL B 312 −7.065 48.064 36.499 1.00 88.37 C ATOM 10959 CG1 VAL B 312 −8.222 48.405 35.595 1.00 88.24 C ATOM 10963 CG2 VAL B 312 −5.979 47.356 35.697 1.00 88.52 C ATOM 10967 C VAL B 312 −7.361 49.769 38.383 1.00 92.51 C ATOM 10968 O VAL B 312 −7.811 50.910 38.482 1.00 94.93 O ATOM 10969 N ALA B 313 −7.563 48.866 39.331 1.00 96.03 N ATOM 10971 CA ALA B 313 −8.432 49.151 40.470 1.00 97.31 C ATOM 10973 CB ALA B 313 −8.438 47.916 41.424 1.00 95.55 C ATOM 10977 C ALA B 313 −8.055 50.404 41.281 1.00 98.18 C ATOM 10978 O ALA B 313 −8.868 50.852 42.088 1.00 102.35 O ATOM 10979 N THR B 314 −6.864 50.971 41.033 1.00 97.48 N ATOM 10981 CA THR B 314 −6.102 51.818 42.013 1.00 96.57 C ATOM 10983 CB THR B 314 −6.505 53.356 42.037 1.00 95.77 C ATOM 10985 OG1 THR B 314 −7.547 53.635 42.985 1.00 95.94 O ATOM 10987 CG2 THR B 314 −7.040 53.811 40.662 1.00 95.13 C ATOM 10991 C THR B 314 −6.028 51.095 43.417 1.00 94.99 C ATOM 10992 O THR B 314 −6.148 51.703 44.505 1.00 89.26 O ATOM 10993 N SER B 315 −5.810 49.767 43.307 1.00 94.79 N ATOM 10995 CA SER B 315 −5.731 48.796 44.424 1.00 93.42 C ATOM 10997 CB SER B 315 −5.712 47.335 43.911 1.00 93.27 C ATOM 11000 OG SER B 315 −4.568 47.043 43.118 1.00 85.86 O ATOM 11002 C SER B 315 −4.516 49.033 45.306 1.00 93.27 C ATOM 11003 O SER B 315 −3.681 49.893 44.995 1.00 94.12 O ATOM 11004 N GLN B 316 −4.410 48.279 46.404 1.00 91.57 N ATOM 11006 CA GLN B 316 −3.318 48.533 47.354 1.00 91.29 C ATOM 11008 CB GLN B 316 −3.756 48.294 48.839 1.00 92.38 C ATOM 11011 CG GLN B 316 −4.329 49.622 49.500 1.00 93.01 C ATOM 11014 CD GLN B 316 −4.619 49.576 51.022 1.00 91.31 C ATOM 11015 OE1 GLN B 316 −4.691 48.505 51.626 1.00 90.86 O ATOM 11016 NE2 GLN B 316 −4.791 50.762 51.629 1.00 89.33 N ATOM 11019 C GLN B 316 −2.010 47.823 46.923 1.00 85.48 C ATOM 11020 O GLN B 316 −0.926 48.158 47.397 1.00 84.70 O ATOM 11021 N ASP B 317 −2.129 46.872 46.001 1.00 78.17 N ATOM 11023 CA ASP B 317 −0.980 46.180 45.434 1.00 76.19 C ATOM 11025 CB ASP B 317 −1.492 45.121 44.472 1.00 73.46 C ATOM 11028 CG ASP B 317 −2.262 44.078 45.184 1.00 72.17 C ATOM 11029 OD1 ASP B 317 −2.407 44.252 46.424 1.00 70.34 O ATOM 11030 OD2 ASP B 317 −2.743 43.073 44.620 1.00 70.32 O ATOM 11031 C ASP B 317 0.034 47.099 44.728 1.00 76.88 C ATOM 11032 O ASP B 317 −0.247 48.268 44.447 1.00 82.57 O ATOM 11033 N ASP B 318 1.216 46.558 44.448 1.00 74.00 N ATOM 11035 CA ASP B 318 2.304 47.312 43.838 1.00 68.80 C ATOM 11037 CB ASP B 318 3.577 47.191 44.686 1.00 70.82 C ATOM 11040 CG ASP B 318 3.534 48.035 45.962 1.00 71.07 C ATOM 11041 OD1 ASP B 318 4.185 47.662 46.968 1.00 70.80 O ATOM 11042 OD2 ASP B 318 2.884 49.087 46.052 1.00 73.30 O ATOM 11043 C ASP B 318 2.511 46.719 42.455 1.00 65.62 C ATOM 11044 O ASP B 318 3.019 45.608 42.319 1.00 60.87 O ATOM 11045 N CYS B 319 2.126 47.456 41.419 1.00 61.57 N ATOM 11047 CA CYS B 319 2.133 46.872 40.093 1.00 57.97 C ATOM 11049 CB CYS B 319 0.736 46.962 39.463 1.00 61.08 C ATOM 11052 SG CYS B 319 −0.613 46.137 40.403 1.00 68.12 S ATOM 11053 C CYS B 319 3.220 47.524 39.269 1.00 52.64 C ATOM 11054 O CYS B 319 3.745 48.540 39.662 1.00 52.88 O ATOM 11055 N TYR B 320 3.560 46.945 38.130 1.00 47.04 N ATOM 11057 CA TYR B 320 4.728 47.385 37.415 1.00 50.79 C ATOM 11059 CB TYR B 320 6.042 46.773 38.010 1.00 51.87 C ATOM 11062 CG TYR B 320 6.341 47.116 39.469 1.00 44.28 C ATOM 11063 CD1 TYR B 320 5.861 46.331 40.512 1.00 51.75 C ATOM 11065 CE1 TYR B 320 6.125 46.637 41.826 1.00 48.81 C ATOM 11067 CZ TYR B 320 6.873 47.737 42.090 1.00 51.67 C ATOM 11068 OH TYR B 320 7.161 48.090 43.379 1.00 63.11 O ATOM 11070 CE2 TYR B 320 7.351 48.512 41.073 1.00 46.32 C ATOM 11072 CD2 TYR B 320 7.082 48.188 39.779 1.00 35.82 C ATOM 11074 C TYR B 320 4.626 46.882 36.016 1.00 52.12 C ATOM 11075 O TYR B 320 4.082 45.809 35.792 1.00 56.07 O ATOM 11076 N LYS B 321 5.164 47.667 35.085 1.00 53.09 N ATOM 11078 CA LYS B 321 5.216 47.294 33.708 1.00 51.68 C ATOM 11080 CB LYS B 321 4.684 48.430 32.832 1.00 57.10 C ATOM 11083 CG LYS B 321 3.102 48.538 32.635 1.00 61.86 C ATOM 11086 CD LYS B 321 2.727 49.287 31.269 1.00 67.16 C ATOM 11089 CE LYS B 321 1.532 50.345 31.323 1.00 70.93 C ATOM 11092 NZ LYS B 321 1.847 51.846 31.459 1.00 71.64 N ATOM 11096 C LYS B 321 6.681 47.049 33.421 1.00 49.27 C ATOM 11097 O LYS B 321 7.544 47.694 33.987 1.00 54.13 O ATOM 11098 N PHE B 322 6.961 46.083 32.568 1.00 45.37 N ATOM 11100 CA PHE B 322 8.291 45.825 32.087 1.00 45.16 C ATOM 11102 CB PHE B 322 8.218 44.478 31.390 1.00 41.79 C ATOM 11105 CG PHE B 322 9.528 43.929 30.875 1.00 42.80 C ATOM 11106 CD1 PHE B 322 10.627 43.747 31.697 1.00 41.54 C ATOM 11108 CE1 PHE B 322 11.812 43.202 31.188 1.00 46.06 C ATOM 11110 CZ PHE B 322 11.895 42.839 29.861 1.00 44.89 C ATOM 11112 CE2 PHE B 322 10.803 43.031 29.042 1.00 34.54 C ATOM 11114 CD2 PHE B 322 9.633 43.549 29.547 1.00 37.25 C ATOM 11116 C PHE B 322 8.606 46.957 31.087 1.00 48.75 C ATOM 11117 O PHE B 322 7.894 47.126 30.099 1.00 56.32 O ATOM 11118 N ALA B 323 9.651 47.736 31.346 1.00 49.68 N ATOM 11120 CA ALA B 323 10.098 48.768 30.413 1.00 46.88 C ATOM 11122 CB ALA B 323 10.314 50.060 31.172 1.00 46.63 C ATOM 11126 C ALA B 323 11.377 48.461 29.609 1.00 45.38 C ATOM 11127 O ALA B 323 12.397 49.107 29.792 1.00 55.92 O ATOM 11128 N ILE B 324 11.332 47.502 28.713 1.00 48.17 N ATOM 11130 CA ILE B 324 12.466 47.206 27.845 1.00 46.85 C ATOM 11132 CB ILE B 324 13.345 46.064 28.445 1.00 44.62 C ATOM 11134 CG1 ILE B 324 14.171 46.476 29.668 1.00 51.60 C ATOM 11137 CD1 ILE B 324 15.228 45.430 30.124 1.00 57.66 C ATOM 11141 CG2 ILE B 324 14.315 45.545 27.437 1.00 40.76 C ATOM 11145 C ILE B 324 11.754 46.719 26.575 1.00 49.80 C ATOM 11146 O ILE B 324 11.146 45.664 26.644 1.00 50.08 O ATOM 11147 N SER B 325 11.794 47.464 25.446 1.00 50.30 N ATOM 11149 CA SER B 325 11.092 47.067 24.174 1.00 50.46 C ATOM 11151 CB SER B 325 10.034 48.087 23.799 1.00 49.93 C ATOM 11154 OG SER B 325 9.963 49.115 24.782 1.00 59.75 O ATOM 11156 C SER B 325 11.954 46.918 22.928 1.00 50.03 C ATOM 11157 O SER B 325 13.119 47.211 22.936 1.00 53.12 O ATOM 11158 N GLN B 326 11.382 46.465 21.828 1.00 56.80 N ATOM 11160 CA GLN B 326 12.193 46.354 20.631 1.00 59.61 C ATOM 11162 CB GLN B 326 11.717 45.312 19.617 1.00 60.94 C ATOM 11165 CG GLN B 326 10.391 44.672 19.856 1.00 66.47 C ATOM 11168 CD GLN B 326 10.292 43.338 19.116 1.00 74.18 C ATOM 11169 OE1 GLN B 326 10.878 43.178 18.023 1.00 71.53 O ATOM 11170 NE2 GLN B 326 9.553 42.374 19.707 1.00 75.43 N ATOM 11173 C GLN B 326 12.238 47.707 19.965 1.00 60.48 C ATOM 11174 O GLN B 326 11.435 48.586 20.264 1.00 57.03 O ATOM 11175 N SER B 327 13.198 47.844 19.064 1.00 57.25 N ATOM 11177 CA SER B 327 13.413 49.051 18.331 1.00 55.49 C ATOM 11179 CB SER B 327 14.670 49.752 18.824 1.00 53.74 C ATOM 11182 OG SER B 327 15.511 50.178 17.714 1.00 49.78 O ATOM 11184 C SER B 327 13.654 48.642 16.914 1.00 58.77 C ATOM 11185 O SER B 327 14.087 47.518 16.656 1.00 59.83 O ATOM 11186 N SER B 328 13.379 49.541 15.984 1.00 59.17 N ATOM 11188 CA SER B 328 13.786 49.287 14.625 1.00 60.92 C ATOM 11190 CB SER B 328 12.606 49.365 13.631 1.00 63.09 C ATOM 11193 OG SER B 328 11.492 50.158 14.067 1.00 65.22 O ATOM 11195 C SER B 328 14.911 50.259 14.300 1.00 60.93 C ATOM 11196 O SER B 328 15.657 50.066 13.337 1.00 64.26 O ATOM 11197 N THR B 329 15.076 51.287 15.131 1.00 61.31 N ATOM 11199 CA THR B 329 16.051 52.372 14.845 1.00 59.73 C ATOM 11201 CB THR B 329 15.359 53.753 14.900 1.00 60.54 C ATOM 11203 OG1 THR B 329 14.584 53.860 16.105 1.00 58.14 O ATOM 11205 CG2 THR B 329 14.332 53.922 13.743 1.00 56.98 C ATOM 11209 C THR B 329 17.278 52.431 15.749 1.00 58.54 C ATOM 11210 O THR B 329 17.933 53.459 15.778 1.00 61.65 O ATOM 11211 N GLY B 330 17.567 51.325 16.460 1.00 58.25 N ATOM 11213 CA GLY B 330 18.695 51.165 17.351 1.00 50.47 C ATOM 11216 C GLY B 330 18.313 51.180 18.850 1.00 52.50 C ATOM 11217 O GLY B 330 17.128 51.312 19.252 1.00 56.44 O ATOM 11218 N THR B 331 19.343 51.046 19.686 1.00 45.78 N ATOM 11220 CA THR B 331 19.241 51.078 21.119 1.00 41.85 C ATOM 11222 CB THR B 331 20.630 50.637 21.677 1.00 41.95 C ATOM 11224 OG1 THR B 331 20.726 49.210 21.674 1.00 47.12 O ATOM 11226 CG2 THR B 331 20.797 50.988 23.053 1.00 37.45 C ATOM 11230 C THR B 331 18.966 52.502 21.548 1.00 41.86 C ATOM 11231 O THR B 331 19.675 53.422 21.115 1.00 42.95 O ATOM 11232 N VAL B 332 17.961 52.691 22.401 1.00 37.91 N ATOM 11234 CA VAL B 332 17.747 53.961 23.049 1.00 36.68 C ATOM 11236 CB VAL B 332 16.372 54.558 22.862 1.00 38.12 C ATOM 11238 CG1 VAL B 332 16.453 56.041 22.986 1.00 37.57 C ATOM 11242 CG2 VAL B 332 15.785 54.214 21.527 1.00 42.36 C ATOM 11246 C VAL B 332 17.891 53.693 24.528 1.00 43.79 C ATOM 11247 O VAL B 332 17.094 52.953 25.121 1.00 44.24 O ATOM 11248 N MET B 333 18.931 54.302 25.104 1.00 46.87 N ATOM 11250 CA MET B 333 19.231 54.228 26.508 1.00 43.89 C ATOM 11252 CB MET B 333 20.720 54.492 26.737 1.00 43.44 C ATOM 11255 CG MET B 333 21.665 53.638 25.852 1.00 44.02 C ATOM 11258 SD MET B 333 23.458 53.802 26.313 1.00 55.34 S ATOM 11259 CE MET B 333 23.460 53.010 27.911 1.00 55.88 C ATOM 11263 C MET B 333 18.368 55.332 27.098 1.00 48.39 C ATOM 11264 O MET B 333 18.802 56.474 27.222 1.00 53.18 O ATOM 11265 N GLY B 334 17.134 54.979 27.451 1.00 50.35 N ATOM 11267 CA GLY B 334 16.145 55.935 27.929 1.00 49.72 C ATOM 11270 C GLY B 334 16.128 56.215 29.401 1.00 48.78 C ATOM 11271 O GLY B 334 17.099 55.961 30.105 1.00 58.24 O ATOM 11272 N ALA B 335 14.985 56.698 29.865 1.00 48.59 N ATOM 11274 CA ALA B 335 14.888 57.271 31.193 1.00 50.40 C ATOM 11276 CB ALA B 335 13.612 58.070 31.297 1.00 48.07 C ATOM 11280 C ALA B 335 15.002 56.266 32.338 1.00 53.66 C ATOM 11281 O ALA B 335 15.461 56.596 33.415 1.00 58.54 O ATOM 11282 N VAL B 336 14.586 55.035 32.135 1.00 53.31 N ATOM 11284 CA VAL B 336 14.750 54.108 33.224 1.00 55.63 C ATOM 11286 CB VAL B 336 13.937 52.808 33.058 1.00 58.93 C ATOM 11288 CG1 VAL B 336 12.409 53.162 33.026 1.00 56.89 C ATOM 11292 CG2 VAL B 336 14.432 51.979 31.840 1.00 58.15 C ATOM 11296 C VAL B 336 16.202 53.785 33.317 1.00 53.53 C ATOM 11297 O VAL B 336 16.666 53.274 34.321 1.00 57.81 O ATOM 11298 N ILE B 337 16.946 54.059 32.267 1.00 50.75 N ATOM 11300 CA ILE B 337 18.367 53.801 32.370 1.00 46.62 C ATOM 11302 CB ILE B 337 19.056 53.626 30.992 1.00 43.03 C ATOM 11304 CG1 ILE B 337 18.218 52.737 30.091 1.00 45.86 C ATOM 11307 CD1 ILE B 337 17.973 51.333 30.721 1.00 45.07 C ATOM 11311 CG2 ILE B 337 20.355 52.901 31.105 1.00 44.92 C ATOM 11315 C ILE B 337 18.785 55.035 33.102 1.00 48.16 C ATOM 11316 O ILE B 337 19.334 54.925 34.164 1.00 51.02 O ATOM 11317 N MET B 338 18.460 56.219 32.583 1.00 45.36 N ATOM 11319 CA MET B 338 18.968 57.443 33.185 1.00 44.08 C ATOM 11321 CB MET B 338 18.460 58.679 32.452 1.00 47.75 C ATOM 11324 CG MET B 338 18.833 58.740 31.003 1.00 48.46 C ATOM 11327 SD MET B 338 18.465 60.332 30.349 1.00 59.21 S ATOM 11328 CE MET B 338 19.867 61.227 30.953 1.00 56.77 C ATOM 11332 C MET B 338 18.647 57.631 34.647 1.00 42.50 C ATOM 11333 O MET B 338 19.328 58.383 35.313 1.00 49.24 O ATOM 11334 N GLU B 339 17.629 56.964 35.148 1.00 42.14 N ATOM 11336 CA GLU B 339 17.161 57.177 36.515 1.00 46.39 C ATOM 11338 CB GLU B 339 15.730 56.656 36.689 1.00 50.35 C ATOM 11341 CG GLU B 339 14.662 57.340 35.854 1.00 53.30 C ATOM 11344 CD GLU B 339 13.241 57.029 36.346 1.00 63.08 C ATOM 11345 OE1 GLU B 339 12.502 57.979 36.701 1.00 64.18 O ATOM 11346 OE2 GLU B 339 12.851 55.834 36.381 1.00 65.96 O ATOM 11347 C GLU B 339 18.056 56.512 37.539 1.00 48.49 C ATOM 11348 O GLU B 339 17.999 56.842 38.714 1.00 52.78 O ATOM 11349 N GLY B 340 18.871 55.565 37.093 1.00 47.81 N ATOM 11351 CA GLY B 340 19.898 54.993 37.941 1.00 48.44 C ATOM 11354 C GLY B 340 21.164 55.846 38.027 1.00 49.58 C ATOM 11355 O GLY B 340 21.952 55.773 38.986 1.00 46.13 O ATOM 11356 N PHE B 341 21.369 56.684 37.027 1.00 49.56 N ATOM 11358 CA PHE B 341 22.598 57.449 36.967 1.00 48.86 C ATOM 11360 CB PHE B 341 23.349 56.930 35.754 1.00 48.52 C ATOM 11363 CG PHE B 341 23.480 55.442 35.737 1.00 47.00 C ATOM 11364 CD1 PHE B 341 22.679 54.674 34.926 1.00 50.33 C ATOM 11366 CE1 PHE B 341 22.791 53.291 34.908 1.00 47.28 C ATOM 11368 CZ PHE B 341 23.719 52.688 35.724 1.00 49.94 C ATOM 11370 CE2 PHE B 341 24.525 53.452 36.534 1.00 45.50 C ATOM 11372 CD2 PHE B 341 24.408 54.811 36.540 1.00 44.62 C ATOM 11374 C PHE B 341 22.469 58.975 36.861 1.00 47.63 C ATOM 11375 O PHE B 341 21.482 59.485 36.344 1.00 50.69 O ATOM 11376 N TYR B 342 23.470 59.686 37.372 1.00 44.30 N ATOM 11378 CA TYR B 342 23.694 61.096 37.030 1.00 45.47 C ATOM 11380 CB TYR B 342 24.640 61.771 38.026 1.00 43.43 C ATOM 11383 CG TYR B 342 24.793 63.285 37.896 1.00 41.05 C ATOM 11384 CD1 TYR B 342 23.724 64.092 37.871 1.00 40.92 C ATOM 11386 CE1 TYR B 342 23.860 65.448 37.770 1.00 46.50 C ATOM 11388 CZ TYR B 342 25.084 66.025 37.693 1.00 49.06 C ATOM 11389 OH TYR B 342 25.178 67.402 37.584 1.00 46.57 O ATOM 11391 CE2 TYR B 342 26.186 65.239 37.731 1.00 47.37 C ATOM 11393 CD2 TYR B 342 26.036 63.881 37.832 1.00 48.16 C ATOM 11395 C TYR B 342 24.419 60.996 35.706 1.00 42.55 C ATOM 11396 O TYR B 342 25.389 60.268 35.650 1.00 46.12 O ATOM 11397 N VAL B 343 23.952 61.690 34.665 1.00 41.14 N ATOM 11399 CA VAL B 343 24.592 61.717 33.333 1.00 38.62 C ATOM 11401 CB VAL B 343 23.618 61.281 32.277 1.00 38.70 C ATOM 11403 CG1 VAL B 343 24.369 61.080 30.981 1.00 40.70 C ATOM 11407 CG2 VAL B 343 22.943 59.960 32.703 1.00 42.16 C ATOM 11411 C VAL B 343 25.070 63.099 32.869 1.00 36.25 C ATOM 11412 O VAL B 343 24.319 64.079 32.905 1.00 43.95 O ATOM 11413 N VAL B 344 26.305 63.192 32.393 1.00 37.32 N ATOM 11415 CA VAL B 344 26.868 64.477 31.990 1.00 29.38 C ATOM 11417 CB VAL B 344 28.183 64.693 32.583 1.00 30.42 C ATOM 11419 CG1 VAL B 344 28.516 66.115 32.541 1.00 36.77 C ATOM 11423 CG2 VAL B 344 28.156 64.296 34.036 1.00 38.24 C ATOM 11427 C VAL B 344 27.087 64.507 30.545 1.00 31.36 C ATOM 11428 O VAL B 344 27.722 63.618 30.003 1.00 36.95 O ATOM 11429 N PHE B 345 26.543 65.555 29.935 1.00 38.83 N ATOM 11431 CA PHE B 345 26.611 65.855 28.494 1.00 41.14 C ATOM 11433 CB PHE B 345 25.217 66.193 27.962 1.00 41.42 C ATOM 11436 CG PHE B 345 24.189 65.146 28.278 1.00 44.84 C ATOM 11437 CD1 PHE B 345 23.861 64.165 27.366 1.00 42.09 C ATOM 11439 CE1 PHE B 345 22.953 63.237 27.669 1.00 34.11 C ATOM 11441 CZ PHE B 345 22.320 63.238 28.870 1.00 41.08 C ATOM 11443 CE2 PHE B 345 22.617 64.181 29.785 1.00 46.16 C ATOM 11445 CD2 PHE B 345 23.551 65.136 29.495 1.00 43.84 C ATOM 11447 C PHE B 345 27.590 67.007 28.227 1.00 44.97 C ATOM 11448 O PHE B 345 27.217 68.145 28.007 1.00 43.88 O ATOM 11449 N ASP B 346 28.852 66.609 28.241 1.00 47.40 N ATOM 11451 CA ASP B 346 30.032 67.436 28.149 1.00 48.51 C ATOM 11453 CB ASP B 346 31.139 66.623 28.833 1.00 52.73 C ATOM 11456 CG ASP B 346 32.313 67.433 29.321 1.00 60.43 C ATOM 11457 OD1 ASP B 346 32.437 68.640 28.982 1.00 69.63 O ATOM 11458 OD2 ASP B 346 33.173 66.892 30.074 1.00 54.36 O ATOM 11459 C ASP B 346 30.301 67.629 26.668 1.00 47.09 C ATOM 11460 O ASP B 346 31.160 66.996 26.076 1.00 45.68 O ATOM 11461 N ARG B 347 29.506 68.517 26.081 1.00 47.52 N ATOM 11463 CA ARG B 347 29.637 68.935 24.701 1.00 43.73 C ATOM 11465 CB ARG B 347 28.570 69.962 24.423 1.00 43.30 C ATOM 11468 CG ARG B 347 27.202 69.356 24.324 1.00 42.11 C ATOM 11471 CD ARG B 347 26.079 70.326 24.660 1.00 46.02 C ATOM 11474 NE ARG B 347 25.906 71.409 23.697 1.00 46.95 N ATOM 11476 CZ ARG B 347 25.579 71.248 22.418 1.00 49.44 C ATOM 11477 NH1 ARG B 347 25.401 70.035 21.910 1.00 48.15 N ATOM 11480 NH2 ARG B 347 25.433 72.313 21.632 1.00 51.53 N ATOM 11483 C ARG B 347 30.988 69.558 24.396 1.00 48.71 C ATOM 11484 O ARG B 347 31.492 69.455 23.286 1.00 49.46 O ATOM 11485 N ALA B 348 31.578 70.217 25.379 1.00 49.23 N ATOM 11487 CA ALA B 348 32.842 70.875 25.172 1.00 46.88 C ATOM 11489 CB ALA B 348 33.226 71.682 26.425 1.00 48.10 C ATOM 11493 C ALA B 348 33.901 69.837 24.849 1.00 53.46 C ATOM 11494 O ALA B 348 34.834 70.103 24.076 1.00 54.08 O ATOM 11495 N ARG B 349 33.768 68.641 25.426 1.00 54.97 N ATOM 11497 CA ARG B 349 34.773 67.599 25.178 1.00 51.50 C ATOM 11499 CB ARG B 349 35.395 67.153 26.517 1.00 50.57 C ATOM 11502 CG ARG B 349 36.426 68.192 27.060 1.00 50.96 C ATOM 11505 CD ARG B 349 36.963 67.948 28.466 1.00 53.35 C ATOM 11508 NE ARG B 349 37.988 66.891 28.506 1.00 58.63 N ATOM 11510 CZ ARG B 349 38.667 66.554 29.599 1.00 60.78 C ATOM 11511 NH1 ARG B 349 38.427 67.189 30.747 1.00 54.92 N ATOM 11514 NH2 ARG B 349 39.585 65.593 29.545 1.00 61.55 N ATOM 11517 C ARG B 349 34.290 66.413 24.305 1.00 50.33 C ATOM 11518 O ARG B 349 34.994 65.398 24.150 1.00 50.96 O ATOM 11519 N LYS B 350 33.103 66.532 23.724 1.00 46.02 N ATOM 11521 CA LYS B 350 32.610 65.465 22.881 1.00 46.35 C ATOM 11523 CB LYS B 350 33.496 65.367 21.601 1.00 49.69 C ATOM 11526 CG LYS B 350 33.014 64.434 20.402 1.00 58.03 C ATOM 11529 CD LYS B 350 33.785 64.714 19.003 1.00 58.14 C ATOM 11532 CE LYS B 350 33.246 63.860 17.760 1.00 60.61 C ATOM 11535 NZ LYS B 350 33.683 64.245 16.314 1.00 56.11 N ATOM 11539 C LYS B 350 32.554 64.164 23.717 1.00 44.86 C ATOM 11540 O LYS B 350 32.810 63.100 23.206 1.00 48.76 O ATOM 11541 N ARG B 351 32.200 64.257 25.007 1.00 44.60 N ATOM 11543 CA ARG B 351 32.015 63.060 25.863 1.00 44.48 C ATOM 11545 CB ARG B 351 33.225 62.846 26.743 1.00 43.82 C ATOM 11548 CG ARG B 351 33.540 64.024 27.571 1.00 45.18 C ATOM 11551 CD ARG B 351 34.789 63.898 28.392 1.00 40.95 C ATOM 11554 NE ARG B 351 34.687 64.715 29.598 1.00 46.55 N ATOM 11556 CZ ARG B 351 35.630 64.793 30.519 1.00 43.31 C ATOM 11557 NH1 ARG B 351 36.756 64.127 30.377 1.00 41.89 N ATOM 11560 NH2 ARG B 351 35.456 65.547 31.590 1.00 54.20 N ATOM 11563 C ARG B 351 30.791 63.069 26.789 1.00 41.64 C ATOM 11564 O ARG B 351 30.368 64.121 27.205 1.00 50.18 O ATOM 11565 N ILE B 352 30.257 61.883 27.104 1.00 38.69 N ATOM 11567 CA ILE B 352 29.130 61.673 28.027 1.00 45.01 C ATOM 11569 CB ILE B 352 28.098 60.731 27.416 1.00 49.66 C ATOM 11571 CG1 ILE B 352 27.315 61.409 26.305 1.00 52.66 C ATOM 11574 CD1 ILE B 352 26.048 60.706 26.013 1.00 56.74 C ATOM 11578 CG2 ILE B 352 27.127 60.305 28.506 1.00 52.33 C ATOM 11582 C ILE B 352 29.550 60.932 29.289 1.00 46.49 C ATOM 11583 O ILE B 352 30.129 59.841 29.192 1.00 45.55 O ATOM 11584 N GLY B 353 29.237 61.448 30.471 1.00 46.26 N ATOM 11586 CA GLY B 353 29.635 60.734 31.670 1.00 44.22 C ATOM 11589 C GLY B 353 28.530 60.101 32.472 1.00 40.63 C ATOM 11590 O GLY B 353 27.454 60.641 32.543 1.00 50.25 O ATOM 11591 N PHE B 354 28.815 58.960 33.096 1.00 41.57 N ATOM 11593 CA PHE B 354 27.860 58.254 33.937 1.00 35.69 C ATOM 11595 CB PHE B 354 27.614 56.866 33.365 1.00 42.54 C ATOM 11598 CG PHE B 354 27.032 56.890 31.992 1.00 48.12 C ATOM 11599 CD1 PHE B 354 27.843 57.064 30.896 1.00 47.79 C ATOM 11601 CE1 PHE B 354 27.311 57.107 29.652 1.00 53.15 C ATOM 11603 CZ PHE B 354 25.957 56.971 29.486 1.00 51.31 C ATOM 11605 CE2 PHE B 354 25.146 56.790 30.572 1.00 45.30 C ATOM 11607 CD2 PHE B 354 25.670 56.757 31.809 1.00 42.69 C ATOM 11609 C PHE B 354 28.418 58.065 35.324 1.00 37.73 C ATOM 11610 O PHE B 354 29.561 57.648 35.479 1.00 36.56 O ATOM 11611 N ALA B 355 27.611 58.364 36.333 1.00 34.99 N ATOM 11613 CA ALA B 355 27.973 58.081 37.695 1.00 31.85 C ATOM 11615 CB ALA B 355 28.631 59.305 38.285 1.00 35.10 C ATOM 11619 C ALA B 355 26.740 57.630 38.531 1.00 34.75 C ATOM 11620 O ALA B 355 25.641 58.105 38.363 1.00 38.79 O ATOM 11621 N VAL B 356 26.909 56.686 39.430 1.00 36.60 N ATOM 11623 CA VAL B 356 25.801 56.261 40.272 1.00 35.07 C ATOM 11625 CB VAL B 356 26.370 55.348 41.344 1.00 32.99 C ATOM 11627 CG1 VAL B 356 25.358 55.012 42.383 1.00 38.64 C ATOM 11631 CG2 VAL B 356 26.829 54.112 40.710 1.00 35.78 C ATOM 11635 C VAL B 356 25.077 57.477 40.879 1.00 35.09 C ATOM 11636 O VAL B 356 25.717 58.401 41.338 1.00 40.54 O ATOM 11637 N SER B 357 23.752 57.483 40.905 1.00 41.74 N ATOM 11639 CA SER B 357 22.999 58.670 41.346 1.00 41.57 C ATOM 11641 CB SER B 357 21.721 58.803 40.523 1.00 47.83 C ATOM 11644 OG SER B 357 21.001 60.008 40.844 1.00 50.14 O ATOM 11646 C SER B 357 22.591 58.706 42.805 1.00 44.92 C ATOM 11647 O SER B 357 22.032 57.767 43.335 1.00 49.30 O ATOM 11648 N ALA B 358 22.822 59.824 43.458 1.00 47.90 N ATOM 11650 CA ALA B 358 22.455 59.955 44.856 1.00 50.90 C ATOM 11652 CB ALA B 358 22.871 61.301 45.346 1.00 52.95 C ATOM 11656 C ALA B 358 20.962 59.764 45.155 1.00 51.41 C ATOM 11657 O ALA B 358 20.538 59.955 46.293 1.00 50.45 O ATOM 11658 N CYS B 359 20.158 59.408 44.167 1.00 51.99 N ATOM 11660 CA CYS B 359 18.739 59.237 44.444 1.00 56.13 C ATOM 11662 CB CYS B 359 17.928 60.518 44.118 1.00 57.03 C ATOM 11665 SG CYS B 359 17.612 60.710 42.327 1.00 70.47 S ATOM 11666 C CYS B 359 18.122 58.055 43.726 1.00 51.20 C ATOM 11667 O CYS B 359 16.907 58.001 43.614 1.00 57.81 O ATOM 11668 N HIS B 360 18.909 57.107 43.238 1.00 46.00 N ATOM 11670 CA HIS B 360 18.286 55.955 42.602 1.00 46.33 C ATOM 11672 CB HIS B 360 19.256 55.165 41.736 1.00 43.36 C ATOM 11675 CG HIS B 360 20.215 54.331 42.501 1.00 38.68 C ATOM 11676 ND1 HIS B 360 21.398 54.828 42.996 1.00 40.71 N ATOM 11678 CE1 HIS B 360 22.052 53.864 43.613 1.00 38.06 C ATOM 11680 NE2 HIS B 360 21.334 52.758 43.535 1.00 40.34 N ATOM 11682 CD2 HIS B 360 20.178 53.030 42.847 1.00 39.93 C ATOM 11684 C HIS B 360 17.608 55.028 43.604 1.00 47.19 C ATOM 11685 O HIS B 360 18.049 54.855 44.722 1.00 49.29 O ATOM 11686 N VAL B 361 16.521 54.430 43.157 1.00 49.14 N ATOM 11688 CA VAL B 361 15.712 53.536 43.966 1.00 49.38 C ATOM 11690 CB VAL B 361 14.359 53.315 43.229 1.00 48.93 C ATOM 11692 CG1 VAL B 361 13.659 52.119 43.747 1.00 50.27 C ATOM 11696 CG2 VAL B 361 13.474 54.527 43.327 1.00 49.22 C ATOM 11700 C VAL B 361 16.427 52.201 44.061 1.00 48.86 C ATOM 11701 O VAL B 361 16.805 51.659 43.055 1.00 50.03 O ATOM 11702 N HIS B 362 16.636 51.656 45.235 1.00 50.40 N ATOM 11704 CA HIS B 362 17.322 50.373 45.323 1.00 54.92 C ATOM 11706 CB HIS B 362 18.864 50.539 45.254 1.00 54.49 C ATOM 11709 CG HIS B 362 19.377 51.443 46.321 1.00 60.33 C ATOM 11710 ND1 HIS B 362 19.017 52.771 46.390 1.00 66.26 N ATOM 11712 CE1 HIS B 362 19.596 53.328 47.442 1.00 65.09 C ATOM 11714 NE2 HIS B 362 20.305 52.406 48.065 1.00 61.43 N ATOM 11716 CD2 HIS B 362 20.174 51.216 47.389 1.00 61.57 C ATOM 11718 C HIS B 362 16.929 49.742 46.671 1.00 54.45 C ATOM 11719 O HIS B 362 16.069 50.242 47.362 1.00 53.82 O ATOM 11720 N ASP B 363 17.564 48.650 47.059 1.00 53.43 N ATOM 11722 CA ASP B 363 17.217 48.054 48.320 1.00 54.67 C ATOM 11724 CB ASP B 363 16.494 46.752 48.043 1.00 56.65 C ATOM 11727 CG ASP B 363 17.334 45.830 47.255 1.00 56.00 C ATOM 11728 OD1 ASP B 363 18.346 45.373 47.833 1.00 60.63 O ATOM 11729 OD2 ASP B 363 17.083 45.532 46.063 1.00 51.94 O ATOM 11730 C ASP B 363 18.443 47.756 49.171 1.00 55.74 C ATOM 11731 O ASP B 363 19.562 48.178 48.890 1.00 54.34 O ATOM 11732 N GLU B 364 18.180 46.998 50.216 1.00 54.75 N ATOM 11734 CA GLU B 364 19.153 46.627 51.197 1.00 58.19 C ATOM 11736 CB GLU B 364 18.486 45.696 52.252 1.00 66.95 C ATOM 11739 CG GLU B 364 17.379 44.737 51.746 1.00 73.62 C ATOM 11742 CD GLU B 364 15.939 45.284 51.760 1.00 79.77 C ATOM 11743 OE1 GLU B 364 15.620 46.193 50.945 1.00 81.19 O ATOM 11744 OE2 GLU B 364 15.110 44.780 52.581 1.00 79.52 O ATOM 11745 C GLU B 364 20.436 46.015 50.655 1.00 53.23 C ATOM 11746 O GLU B 364 21.497 46.365 51.142 1.00 62.76 O ATOM 11747 N PHE B 365 20.359 45.146 49.652 1.00 48.86 N ATOM 11749 CA PHE B 365 21.509 44.351 49.213 1.00 45.25 C ATOM 11751 CB PHE B 365 21.180 42.866 49.376 1.00 47.71 C ATOM 11754 CG PHE B 365 20.355 42.527 50.568 1.00 47.10 C ATOM 11755 CD1 PHE B 365 19.002 42.462 50.470 1.00 48.77 C ATOM 11757 CE1 PHE B 365 18.227 42.134 51.573 1.00 50.48 C ATOM 11759 CZ PHE B 365 18.807 41.860 52.769 1.00 50.39 C ATOM 11761 CE2 PHE B 365 20.163 41.906 52.892 1.00 49.25 C ATOM 11763 CD2 PHE B 365 20.941 42.236 51.784 1.00 52.57 C ATOM 11765 C PHE B 365 22.028 44.401 47.758 1.00 48.01 C ATOM 11766 O PHE B 365 22.790 43.488 47.355 1.00 48.65 O ATOM 11767 N ARG B 366 21.628 45.387 46.959 1.00 41.71 N ATOM 11769 CA ARG B 366 22.110 45.495 45.595 1.00 38.21 C ATOM 11771 CB ARG B 366 21.196 44.800 44.631 1.00 44.13 C ATOM 11774 CG ARG B 366 21.366 43.373 44.547 1.00 45.53 C ATOM 11777 CD ARG B 366 21.069 42.891 43.182 1.00 47.33 C ATOM 11780 NE ARG B 366 19.640 42.980 42.943 1.00 46.43 N ATOM 11782 CZ ARG B 366 18.989 42.079 42.253 1.00 48.01 C ATOM 11783 NH1 ARG B 366 19.682 41.061 41.765 1.00 42.06 N ATOM 11786 NH2 ARG B 366 17.671 42.188 42.048 1.00 48.96 N ATOM 11789 C ARG B 366 21.978 46.909 45.262 1.00 39.85 C ATOM 11790 O ARG B 366 21.091 47.555 45.778 1.00 43.10 O ATOM 11791 N THR B 367 22.812 47.388 44.353 1.00 43.90 N ATOM 11793 CA THR B 367 22.890 48.806 44.093 1.00 45.12 C ATOM 11795 CB THR B 367 23.905 49.378 45.030 1.00 48.16 C ATOM 11797 OG1 THR B 367 23.712 50.781 45.171 1.00 51.47 O ATOM 11799 CG2 THR B 367 25.310 49.228 44.422 1.00 49.76 C ATOM 11803 C THR B 367 23.342 49.094 42.705 1.00 44.62 C ATOM 11804 O THR B 367 24.218 48.423 42.196 1.00 54.55 O ATOM 11805 N ALA B 368 22.734 50.097 42.088 1.00 49.08 N ATOM 11807 CA ALA B 368 23.096 50.539 40.742 1.00 46.61 C ATOM 11809 CB ALA B 368 22.408 51.789 40.479 1.00 48.60 C ATOM 11813 C ALA B 368 24.589 50.768 40.715 1.00 47.51 C ATOM 11814 O ALA B 368 25.131 51.084 41.752 1.00 54.43 O ATOM 11815 N ALA B 369 25.248 50.662 39.561 1.00 46.20 N ATOM 11817 CA ALA B 369 26.685 50.690 39.528 1.00 45.00 C ATOM 11819 CB ALA B 369 27.158 49.328 40.018 1.00 47.24 C ATOM 11823 C ALA B 369 27.496 51.050 38.249 1.00 44.87 C ATOM 11824 O ALA B 369 27.161 50.643 37.116 1.00 48.30 O ATOM 11825 N VAL B 370 28.620 51.759 38.447 1.00 42.20 N ATOM 11827 CA VAL B 370 29.468 52.125 37.315 1.00 38.93 C ATOM 11829 CB VAL B 370 29.495 53.628 37.014 1.00 36.63 C ATOM 11831 CG1 VAL B 370 30.429 53.873 35.921 1.00 41.13 C ATOM 11835 CG2 VAL B 370 28.134 54.161 36.602 1.00 37.20 C ATOM 11839 C VAL B 370 30.838 51.685 37.636 1.00 38.61 C ATOM 11840 O VAL B 370 31.420 52.204 38.525 1.00 38.62 O ATOM 11841 N GLU B 371 31.390 50.748 36.885 1.00 43.13 N ATOM 11843 CA GLU B 371 32.643 50.189 37.276 1.00 41.26 C ATOM 11845 CB GLU B 371 32.358 48.778 37.822 1.00 43.99 C ATOM 11848 CG GLU B 371 31.606 48.790 39.157 1.00 46.24 C ATOM 11851 CD GLU B 371 31.166 47.419 39.677 1.00 51.18 C ATOM 11852 OE1 GLU B 371 31.380 47.199 40.880 1.00 54.14 O ATOM 11853 OE2 GLU B 371 30.602 46.566 38.927 1.00 53.22 O ATOM 11854 C GLU B 371 33.499 50.071 36.085 1.00 43.69 C ATOM 11855 O GLU B 371 32.935 49.921 35.040 1.00 40.57 O ATOM 11856 N GLY B 372 34.842 50.169 36.240 1.00 49.03 N ATOM 11858 CA GLY B 372 35.850 49.814 35.201 1.00 46.30 C ATOM 11861 C GLY B 372 37.272 49.955 35.731 1.00 47.83 C ATOM 11862 O GLY B 372 37.433 50.174 36.939 1.00 53.24 O ATOM 11863 N PRO B 373 38.339 49.869 34.922 1.00 48.85 N ATOM 11864 CA PRO B 373 38.364 49.535 33.488 1.00 47.06 C ATOM 11866 CB PRO B 373 39.716 50.086 33.023 1.00 44.96 C ATOM 11869 CG PRO B 373 40.533 49.940 34.115 1.00 43.41 C ATOM 11872 CD PRO B 373 39.682 50.230 35.387 1.00 43.08 C ATOM 11875 C PRO B 373 38.491 48.092 33.219 1.00 50.22 C ATOM 11876 O PRO B 373 39.130 47.394 33.964 1.00 57.42 O ATOM 11877 N PHE B 374 37.903 47.658 32.137 1.00 51.76 N ATOM 11879 CA PHE B 374 38.030 46.319 31.713 1.00 53.93 C ATOM 11881 CB PHE B 374 36.648 45.693 31.494 1.00 56.43 C ATOM 11884 CG PHE B 374 35.736 45.873 32.661 1.00 53.63 C ATOM 11885 CD1 PHE B 374 35.069 47.063 32.842 1.00 54.53 C ATOM 11887 CE1 PHE B 374 34.249 47.242 33.904 1.00 56.48 C ATOM 11889 CZ PHE B 374 34.093 46.226 34.821 1.00 57.87 C ATOM 11891 CE2 PHE B 374 34.758 45.038 34.654 1.00 50.55 C ATOM 11893 CD2 PHE B 374 35.572 44.865 33.579 1.00 49.47 C ATOM 11895 C PHE B 374 38.736 46.536 30.420 1.00 59.86 C ATOM 11896 O PHE B 374 38.433 47.466 29.694 1.00 62.61 O ATOM 11897 N VAL B 375 39.692 45.677 30.129 1.00 68.35 N ATOM 11899 CA VAL B 375 40.369 45.737 28.857 1.00 68.00 C ATOM 11901 CB VAL B 375 41.765 45.125 28.921 1.00 69.56 C ATOM 11903 CG1 VAL B 375 42.126 44.497 27.585 1.00 72.03 C ATOM 11907 CG2 VAL B 375 42.774 46.194 29.334 1.00 71.07 C ATOM 11911 C VAL B 375 39.508 45.050 27.808 1.00 72.55 C ATOM 11912 O VAL B 375 39.061 43.915 27.984 1.00 64.78 O ATOM 11913 N THR B 376 39.275 45.774 26.712 1.00 81.41 N ATOM 11915 CA THR B 376 38.464 45.296 25.589 1.00 86.08 C ATOM 11917 CB THR B 376 37.142 45.981 25.640 1.00 85.71 C ATOM 11919 OG1 THR B 376 36.993 46.575 26.932 1.00 88.06 O ATOM 11921 CG2 THR B 376 35.986 44.970 25.508 1.00 86.58 C ATOM 11925 C THR B 376 39.130 45.590 24.246 1.00 90.80 C ATOM 11926 O THR B 376 39.889 46.565 24.111 1.00 93.52 O ATOM 11927 N LEU B 377 38.840 44.768 23.240 1.00 94.98 N ATOM 11929 CA LEU B 377 39.572 44.884 21.974 1.00 97.54 C ATOM 11931 CB LEU B 377 40.491 43.667 21.839 1.00 97.95 C ATOM 11934 CG LEU B 377 41.234 43.239 23.119 1.00 97.10 C ATOM 11936 CD1 LEU B 377 42.302 42.213 22.767 1.00 96.01 C ATOM 11940 CD2 LEU B 377 41.873 44.413 23.852 1.00 96.18 C ATOM 11944 C LEU B 377 38.777 45.053 20.662 1.00 98.30 C ATOM 11945 O LEU B 377 37.719 44.425 20.470 1.00 95.52 O ATOM 11946 N ASP B 378 39.328 45.909 19.782 1.00 97.57 N ATOM 11948 CA ASP B 378 38.846 46.107 18.405 1.00 98.72 C ATOM 11950 CB ASP B 378 38.818 44.778 17.631 1.00 101.77 C ATOM 11953 CG ASP B 378 40.161 44.040 17.668 1.00 106.54 C ATOM 11954 OD1 ASP B 378 40.185 42.823 17.348 1.00 107.57 O ATOM 11955 OD2 ASP B 378 41.238 44.594 18.001 1.00 108.22 O ATOM 11956 C ASP B 378 37.466 46.678 18.517 1.00 95.34 C ATOM 11957 O ASP B 378 36.576 46.473 17.690 1.00 90.09 O ATOM 11958 N MET B 379 37.315 47.427 19.584 1.00 92.72 N ATOM 11960 CA MET B 379 36.018 47.850 19.970 1.00 89.67 C ATOM 11962 CB MET B 379 36.115 48.778 21.181 1.00 87.84 C ATOM 11965 CG MET B 379 36.814 48.131 22.363 1.00 85.16 C ATOM 11968 SD MET B 379 36.294 48.757 23.944 1.00 81.06 S ATOM 11969 CE MET B 379 37.408 49.948 24.177 1.00 82.73 C ATOM 11973 C MET B 379 35.455 48.535 18.782 1.00 88.14 C ATOM 11974 O MET B 379 34.453 48.097 18.241 1.00 89.91 O ATOM 11975 N GLU B 380 36.133 49.590 18.349 1.00 89.97 N ATOM 11977 CA GLU B 380 35.555 50.483 17.361 1.00 89.95 C ATOM 11979 CB GLU B 380 36.642 51.168 16.508 1.00 89.88 C ATOM 11982 CG GLU B 380 36.336 52.614 16.072 1.00 90.98 C ATOM 11985 CD GLU B 380 34.854 52.999 16.089 1.00 88.44 C ATOM 11986 OE1 GLU B 380 34.530 54.085 16.634 1.00 82.43 O ATOM 11987 OE2 GLU B 380 34.021 52.227 15.552 1.00 85.64 O ATOM 11988 C GLU B 380 34.529 49.668 16.547 1.00 90.22 C ATOM 11989 O GLU B 380 33.385 50.102 16.385 1.00 89.91 O ATOM 11990 N ASP B 381 34.946 48.482 16.080 1.00 89.23 N ATOM 11992 CA ASP B 381 34.122 47.536 15.284 1.00 85.33 C ATOM 11994 CB ASP B 381 34.705 46.142 15.374 1.00 86.39 C ATOM 11997 CG ASP B 381 35.859 45.959 14.456 1.00 91.21 C ATOM 11998 OD1 ASP B 381 35.821 46.563 13.353 1.00 93.25 O ATOM 11999 OD2 ASP B 381 36.842 45.237 14.742 1.00 97.75 O ATOM 12000 C ASP B 381 32.676 47.329 15.606 1.00 79.23 C ATOM 12001 O ASP B 381 31.926 46.925 14.734 1.00 79.04 O ATOM 12002 N CYS B 382 32.270 47.561 16.839 1.00 73.79 N ATOM 12004 CA CYS B 382 30.891 47.324 17.189 1.00 72.63 C ATOM 12006 CB CYS B 382 30.801 47.291 18.685 1.00 73.33 C ATOM 12009 SG CYS B 382 32.081 46.160 19.287 1.00 72.63 S ATOM 12010 C CYS B 382 30.101 48.438 16.574 1.00 70.89 C ATOM 12011 O CYS B 382 28.891 48.364 16.388 1.00 71.67 O ATOM 12012 N GLY B 383 30.838 49.484 16.246 1.00 72.45 N ATOM 12014 CA GLY B 383 30.295 50.631 15.572 1.00 71.23 C ATOM 12017 C GLY B 383 29.732 50.152 14.271 1.00 69.89 C ATOM 12018 O GLY B 383 30.294 49.291 13.612 1.00 73.05 O ATOM 12019 N TYR B 384 28.597 50.723 13.928 1.00 67.13 N ATOM 12021 CA TYR B 384 27.915 50.436 12.714 1.00 64.11 C ATOM 12023 CB TYR B 384 26.468 50.421 13.020 1.00 61.05 C ATOM 12026 CG TYR B 384 25.620 50.091 11.867 1.00 59.89 C ATOM 12027 CD1 TYR B 384 25.280 48.777 11.578 1.00 59.47 C ATOM 12029 CE1 TYR B 384 24.476 48.469 10.515 1.00 61.28 C ATOM 12031 CZ TYR B 384 23.997 49.497 9.733 1.00 62.97 C ATOM 12032 OH TYR B 384 23.179 49.288 8.636 1.00 63.75 O ATOM 12034 CE2 TYR B 384 24.332 50.792 10.028 1.00 64.64 C ATOM 12036 CD2 TYR B 384 25.136 51.079 11.083 1.00 60.10 C ATOM 12038 C TYR B 384 28.185 51.536 11.732 1.00 68.06 C ATOM 12039 O TYR B 384 28.365 52.708 12.106 1.00 67.06 O ATOM 12040 N ASN B 385 28.213 51.178 10.464 1.00 71.13 N ATOM 12042 CA ASN B 385 28.501 52.166 9.438 1.00 74.74 C ATOM 12044 CB ASN B 385 29.894 51.890 8.828 1.00 76.30 C ATOM 12047 CG ASN B 385 31.057 51.931 9.889 1.00 78.44 C ATOM 12048 OD1 ASN B 385 30.989 52.640 10.887 1.00 84.85 O ATOM 12049 ND2 ASN B 385 32.111 51.163 9.646 1.00 76.88 N ATOM 12052 C ASN B 385 27.362 52.205 8.374 1.00 79.12 C ATOM 12053 O ASN B 385 27.234 51.384 7.455 1.00 79.49 O ATOM 12054 OXT ASN B 385 26.445 53.064 8.344 1.00 79.45 O ATOM 12055 N SER C −2 53.798 42.195 56.398 1.00 54.33 N ATOM 12057 CA SER C −2 54.991 42.203 57.314 1.00 54.26 C ATOM 12059 CB SER C −2 54.496 42.894 58.620 1.00 59.81 C ATOM 12062 OG SER C −2 53.217 43.571 58.434 1.00 50.05 O ATOM 12064 C SER C −2 55.846 40.853 57.607 1.00 51.30 C ATOM 12065 O SER C −2 56.969 40.946 58.008 1.00 52.44 O ATOM 12068 N PHE C −1 55.366 39.626 57.416 1.00 49.50 N ATOM 12070 CA PHE C −1 56.183 38.439 57.772 1.00 45.08 C ATOM 12072 CB PHE C −1 55.401 37.604 58.777 1.00 45.10 C ATOM 12075 CG PHE C −1 54.686 38.446 59.773 1.00 43.74 C ATOM 12076 CD1 PHE C −1 53.717 39.362 59.347 1.00 39.81 C ATOM 12078 CE1 PHE C −1 53.068 40.151 60.248 1.00 44.62 C ATOM 12080 CZ PHE C −1 53.371 40.058 61.605 1.00 39.39 C ATOM 12082 CE2 PHE C −1 54.336 39.149 62.031 1.00 45.60 C ATOM 12084 CD2 PHE C −1 54.990 38.355 61.111 1.00 39.77 C ATOM 12086 C PHE C −1 56.784 37.524 56.676 1.00 47.59 C ATOM 12087 O PHE C −1 56.404 36.379 56.469 1.00 48.73 O ATOM 12088 N VAL C 0 57.769 38.075 56.011 1.00 46.82 N ATOM 12090 CA VAL C 0 58.543 37.462 54.968 1.00 42.56 C ATOM 12092 CB VAL C 0 59.695 38.359 54.783 1.00 48.99 C ATOM 12094 CG1 VAL C 0 59.357 39.397 53.764 1.00 51.10 C ATOM 12098 CG2 VAL C 0 60.001 39.049 56.107 1.00 51.89 C ATOM 12102 C VAL C 0 59.140 36.107 55.089 1.00 46.04 C ATOM 12103 O VAL C 0 59.300 35.444 54.090 1.00 52.48 O ATOM 12104 N GLU C 1 59.520 35.666 56.275 1.00 52.40 N ATOM 12106 CA GLU C 1 60.053 34.310 56.418 1.00 48.09 C ATOM 12108 CD GLU C 1 60.580 34.062 57.864 1.00 52.29 C ATOM 12111 CG GLU C 1 61.892 33.262 57.999 1.00 57.28 C ATOM 12114 CD GLU C 1 61.893 32.085 59.020 1.00 64.51 C ATOM 12115 OE1 GLU C 1 61.939 32.255 60.267 1.00 69.01 O ATOM 12116 OE2 GLU C 1 61.884 30.928 58.557 1.00 72.60 O ATOM 12117 C GLU C 1 58.883 33.376 56.142 1.00 46.54 C ATOM 12118 O GLU C 1 59.026 32.280 55.617 1.00 49.95 O ATOM 12119 N MET C 2 57.696 33.827 56.493 1.00 49.04 N ATOM 12121 CA MET C 2 56.532 32.945 56.564 1.00 49.74 C ATOM 12123 CB MET C 2 55.626 33.430 57.694 1.00 48.27 C ATOM 12126 CG MET C 2 56.231 33.224 59.038 1.00 45.70 C ATOM 12129 SD MET C 2 55.044 33.016 60.326 1.00 51.30 S ATOM 12130 CE MET C 2 54.993 34.710 60.885 1.00 55.15 C ATOM 12134 C MET C 2 55.733 32.822 55.289 1.00 49.17 C ATOM 12135 O MET C 2 55.047 31.832 55.051 1.00 53.00 O ATOM 12136 N VAL C 3 55.829 33.826 54.453 1.00 48.17 N ATOM 12138 CA VAL C 3 55.057 33.841 53.237 1.00 44.83 C ATOM 12140 CB VAL C 3 55.288 35.185 52.611 1.00 44.77 C ATOM 12142 CG1 VAL C 3 55.076 35.148 51.174 1.00 49.34 C ATOM 12146 CG2 VAL C 3 54.379 36.181 53.266 1.00 47.06 C ATOM 12150 C VAL C 3 55.391 32.689 52.296 1.00 42.19 C ATOM 12151 O VAL C 3 56.538 32.338 52.136 1.00 44.06 O ATOM 12152 N ASP C 4 54.375 32.108 51.668 1.00 45.69 N ATOM 12154 CA ASP C 4 54.560 31.045 50.664 1.00 46.60 C ATOM 12156 CB ASP C 4 55.500 31.467 49.499 1.00 49.07 C ATOM 12159 CG ASP C 4 54.841 32.538 48.512 1.00 63.17 C ATOM 12160 OD1 ASP C 4 55.334 32.743 47.356 1.00 68.98 O ATOM 12161 OD2 ASP C 4 53.829 33.234 48.793 1.00 63.59 O ATOM 12162 C ASP C 4 55.157 29.878 51.385 1.00 47.49 C ATOM 12163 O ASP C 4 56.060 29.240 50.853 1.00 49.78 O ATOM 12164 N ASN C 5 54.660 29.586 52.594 1.00 44.31 N ATOM 12166 CA ASN C 5 55.266 28.538 53.398 1.00 36.68 C ATOM 12168 CB ASN C 5 55.621 29.037 54.805 1.00 36.31 C ATOM 12171 CG ASN C 5 54.437 29.178 55.738 1.00 40.22 C ATOM 12172 OD1 ASN C 5 53.318 29.476 55.339 1.00 47.05 O ATOM 12173 ND2 ASN C 5 54.694 28.960 57.017 1.00 41.17 N ATOM 12176 C ASN C 5 54.452 27.285 53.431 1.00 41.07 C ATOM 12177 O ASN C 5 54.800 26.347 54.177 1.00 38.77 O ATOM 12178 N LEU C 6 53.389 27.284 52.615 1.00 40.12 N ATOM 12180 CA LEU C 6 52.525 26.123 52.384 1.00 41.76 C ATOM 12182 CB LEU C 6 51.101 26.491 52.744 1.00 42.43 C ATOM 12185 CG LEU C 6 50.893 26.981 54.147 1.00 44.31 C ATOM 12187 CD1 LEU C 6 49.566 27.697 54.187 1.00 45.43 C ATOM 12191 CD2 LEU C 6 50.912 25.827 55.061 1.00 45.17 C ATOM 12195 C LEU C 6 52.487 25.582 50.922 1.00 42.56 C ATOM 12196 O LEU C 6 52.517 26.338 49.958 1.00 45.43 O ATOM 12197 N ARG C 7 52.372 24.270 50.783 1.00 41.74 N ATOM 12199 CA ARG C 7 52.291 23.598 49.484 1.00 46.94 C ATOM 12201 CB ARG C 7 53.550 22.812 49.196 1.00 45.98 C ATOM 12204 CG ARG C 7 54.688 23.617 48.729 1.00 52.89 C ATOM 12207 CD ARG C 7 55.882 22.751 48.451 1.00 62.54 C ATOM 12210 NE ARG C 7 56.264 21.967 49.632 1.00 72.96 N ATOM 12212 CZ ARG C 7 57.069 20.891 49.617 1.00 78.99 C ATOM 12213 NH1 ARG C 7 57.600 20.433 48.481 1.00 78.58 N ATOM 12216 NH2 ARG C 7 57.346 20.266 50.751 1.00 78.67 N ATOM 12219 C ARG C 7 51.138 22.617 49.483 1.00 44.60 C ATOM 12220 O ARG C 7 50.627 22.304 50.529 1.00 50.99 O ATOM 12221 N GLY C 8 50.752 22.119 48.312 1.00 50.43 N ATOM 12223 CA GLY C 8 49.607 21.220 48.180 1.00 52.51 C ATOM 12226 C GLY C 8 48.335 21.857 47.620 1.00 60.38 C ATOM 12227 O GLY C 8 48.338 22.952 47.008 1.00 64.85 O ATOM 12228 N LYS C 9 47.213 21.180 47.833 1.00 63.07 N ATOM 12230 CA LYS C 9 45.965 21.642 47.255 1.00 64.03 C ATOM 12232 CB LYS C 9 45.860 21.081 45.826 1.00 68.91 C ATOM 12235 CG LYS C 9 46.401 19.663 45.630 1.00 71.59 C ATOM 12238 CD LYS C 9 46.383 19.296 44.140 1.00 78.75 C ATOM 12241 CE LYS C 9 46.052 17.793 43.893 1.00 82.33 C ATOM 12244 NZ LYS C 9 46.104 17.357 42.454 1.00 80.13 N ATOM 12248 C LYS C 9 44.696 21.313 48.068 1.00 63.52 C ATOM 12249 O LYS C 9 44.734 20.619 49.076 1.00 66.42 O ATOM 12250 N SER C 10 43.560 21.824 47.610 1.00 62.64 N ATOM 12252 CA SER C 10 42.295 21.547 48.244 1.00 56.42 C ATOM 12254 CB SER C 10 41.188 22.179 47.413 1.00 58.97 C ATOM 12257 OG SER C 10 41.661 23.246 46.598 1.00 58.04 O ATOM 12259 C SER C 10 42.115 20.024 48.308 1.00 59.45 C ATOM 12260 O SER C 10 41.760 19.470 49.366 1.00 61.04 O ATOM 12261 N GLY C 11 42.385 19.373 47.161 1.00 57.59 N ATOM 12263 CA GLY C 11 42.230 17.938 46.946 1.00 52.60 C ATOM 12266 C GLY C 11 42.837 17.013 47.974 1.00 50.69 C ATOM 12267 O GLY C 11 42.155 16.131 48.456 1.00 47.76 O ATOM 12268 N GLN C 12 44.111 17.214 48.304 1.00 51.44 N ATOM 12270 CA GLN C 12 44.796 16.397 49.296 1.00 51.75 C ATOM 12272 CB GLN C 12 45.904 15.638 48.615 1.00 51.49 C ATOM 12275 CG GLN C 12 45.346 15.061 47.327 1.00 57.41 C ATOM 12278 CD GLN C 12 46.330 14.266 46.496 1.00 62.60 C ATOM 12279 OE1 GLN C 12 47.536 14.564 46.471 1.00 67.40 O ATOM 12280 NE2 GLN C 12 45.816 13.255 45.798 1.00 64.74 N ATOM 12283 C GLN C 12 45.284 17.244 50.466 1.00 51.33 C ATOM 12284 O GLN C 12 45.770 16.759 51.487 1.00 53.08 O ATOM 12285 N GLY C 13 45.147 18.538 50.320 1.00 50.28 N ATOM 12287 CA GLY C 13 45.357 19.400 51.455 1.00 48.93 C ATOM 12290 C GLY C 13 46.550 20.283 51.408 1.00 42.27 C ATOM 12291 O GLY C 13 47.417 20.135 50.579 1.00 38.82 O ATOM 12292 N TYR C 14 46.581 21.229 52.329 1.00 44.75 N ATOM 12294 CA TYR C 14 47.763 22.054 52.493 1.00 42.35 C ATOM 12296 CB TYR C 14 47.314 23.465 52.768 1.00 39.78 C ATOM 12299 CG TYR C 14 46.558 23.964 51.576 1.00 40.40 C ATOM 12300 CD1 TYR C 14 45.196 23.694 51.430 1.00 41.19 C ATOM 12302 CE1 TYR C 14 44.482 24.133 50.330 1.00 37.98 C ATOM 12304 CZ TYR C 14 45.138 24.850 49.355 1.00 51.75 C ATOM 12305 OH TYR C 14 44.440 25.307 48.237 1.00 60.99 O ATOM 12307 CE2 TYR C 14 46.508 25.122 49.486 1.00 48.63 C ATOM 12309 CD2 TYR C 14 47.201 24.665 50.587 1.00 36.78 C ATOM 12311 C TYR C 14 48.582 21.534 53.621 1.00 42.85 C ATOM 12312 O TYR C 14 48.031 21.156 54.661 1.00 46.82 O ATOM 12313 N TYR C 15 49.901 21.495 53.419 1.00 47.44 N ATOM 12315 CA TYR C 15 50.864 21.109 54.484 1.00 40.77 C ATOM 12317 CB TYR C 15 51.541 19.780 54.155 1.00 39.30 C ATOM 12320 CG TYR C 15 52.293 19.646 52.807 1.00 35.74 C ATOM 12321 CD1 TYR C 15 53.646 19.867 52.722 1.00 36.76 C ATOM 12323 CE1 TYR C 15 54.335 19.731 51.545 1.00 33.20 C ATOM 12325 CZ TYR C 15 53.703 19.360 50.429 1.00 37.91 C ATOM 12326 OH TYR C 15 54.451 19.241 49.295 1.00 50.75 O ATOM 12328 CE2 TYR C 15 52.355 19.111 50.433 1.00 39.45 C ATOM 12330 CD2 TYR C 15 51.649 19.247 51.639 1.00 44.32 C ATOM 12332 C TYR C 15 51.975 22.136 54.737 1.00 42.85 C ATOM 12333 O TYR C 15 52.453 22.796 53.816 1.00 40.28 O ATOM 12334 N VAL C 16 52.382 22.262 55.993 1.00 39.99 N ATOM 12336 CA VAL C 16 53.542 23.061 56.317 1.00 40.96 C ATOM 12338 CB VAL C 16 53.287 24.047 57.453 1.00 43.78 C ATOM 12340 CG1 VAL C 16 53.114 23.309 58.754 1.00 40.96 C ATOM 12344 CG2 VAL C 16 54.458 25.009 57.596 1.00 47.68 C ATOM 12348 C VAL C 16 54.633 22.086 56.745 1.00 37.23 C ATOM 12349 O VAL C 16 54.372 21.000 57.194 1.00 40.88 O ATOM 12350 N GLU C 17 55.867 22.486 56.602 1.00 35.29 N ATOM 12352 CA GLU C 17 56.982 21.642 56.919 1.00 35.79 C ATOM 12354 CB GLU C 17 58.118 22.041 56.014 1.00 39.93 C ATOM 12357 CG GLU C 17 59.452 21.517 56.451 1.00 47.15 C ATOM 12360 CD GLU C 17 60.541 21.922 55.490 1.00 52.60 C ATOM 12361 OE1 GLU C 17 60.212 22.301 54.325 1.00 57.45 O ATOM 12362 OE2 GLU C 17 61.710 21.869 55.920 1.00 52.23 O ATOM 12363 C GLU C 17 57.372 21.875 58.349 1.00 34.51 C ATOM 12364 O GLU C 17 57.460 23.030 58.756 1.00 45.63 O ATOM 12365 N MET C 18 57.592 20.818 59.130 1.00 33.60 N ATOM 12367 CA MET C 18 57.970 20.988 60.539 1.00 39.59 C ATOM 12369 CB MET C 18 56.772 20.810 61.479 1.00 40.20 C ATOM 12372 CG MET C 18 55.481 21.510 61.062 1.00 40.31 C ATOM 12375 SD MET C 18 54.035 21.028 62.062 1.00 49.53 S ATOM 12376 CE MET C 18 54.480 21.689 63.652 1.00 40.70 C ATOM 12380 C MET C 18 59.081 19.985 60.893 1.00 45.22 C ATOM 12381 O MET C 18 59.490 19.197 60.024 1.00 48.94 O ATOM 12382 N THR C 19 59.573 20.023 62.141 1.00 44.96 N ATOM 12384 CA THR C 19 60.580 19.059 62.632 1.00 45.77 C ATOM 12386 CB THR C 19 62.016 19.637 62.592 1.00 45.75 C ATOM 12388 OG1 THR C 19 62.205 20.560 63.672 1.00 45.68 O ATOM 12390 CG2 THR C 19 62.279 20.440 61.365 1.00 47.54 C ATOM 12394 C THR C 19 60.360 18.645 64.085 1.00 46.35 C ATOM 12395 O THR C 19 60.282 19.493 64.943 1.00 51.49 O ATOM 12396 N VAL C 20 60.291 17.353 64.370 1.00 46.60 N ATOM 12398 CA VAL C 20 60.207 16.880 65.747 1.00 46.13 C ATOM 12400 CB VAL C 20 59.138 15.840 65.906 1.00 49.43 C ATOM 12402 CG1 VAL C 20 57.730 16.382 65.578 1.00 55.74 C ATOM 12406 CG2 VAL C 20 59.430 14.713 64.993 1.00 52.81 C ATOM 12410 C VAL C 20 61.507 16.160 66.163 1.00 48.31 C ATOM 12411 O VAL C 20 62.179 15.526 65.337 1.00 40.37 O ATOM 12412 N GLY C 21 61.860 16.263 67.445 1.00 47.24 N ATOM 12414 CA GLY C 21 62.935 15.466 68.008 1.00 44.07 C ATOM 12417 C GLY C 21 64.315 16.030 67.964 1.00 48.42 C ATOM 12418 O GLY C 21 64.512 17.180 67.577 1.00 54.75 O ATOM 12419 N SER C 22 65.294 15.215 68.358 1.00 46.60 N ATOM 12421 CA SER C 22 66.649 15.685 68.411 1.00 44.93 C ATOM 12423 CB SER C 22 66.925 16.240 69.813 1.00 46.66 C ATOM 12426 OG SER C 22 65.736 16.738 70.428 1.00 51.42 O ATOM 12428 C SER C 22 67.639 14.580 68.113 1.00 47.58 C ATOM 12429 O SER C 22 67.657 13.570 68.805 1.00 57.41 O ATOM 12430 N PRO C 23 68.450 14.740 67.076 1.00 43.72 N ATOM 12431 CA PRO C 23 68.345 15.844 66.127 1.00 46.60 C ATOM 12433 CB PRO C 23 69.475 15.527 65.140 1.00 44.76 C ATOM 12436 CG PRO C 23 69.592 14.109 65.254 1.00 41.34 C ATOM 12439 CD PRO C 23 69.568 13.881 66.732 1.00 38.07 C ATOM 12442 C PRO C 23 67.003 15.754 65.433 1.00 44.72 C ATOM 12443 O PRO C 23 66.338 14.767 65.601 1.00 49.06 O ATOM 12444 N PRO C 24 66.640 16.763 64.661 1.00 50.13 N ATOM 12445 CA PRO C 24 65.314 16.882 64.016 1.00 45.48 C ATOM 12447 CB PRO C 24 65.324 18.328 63.526 1.00 50.03 C ATOM 12450 CG PRO C 24 66.494 19.014 64.223 1.00 50.43 C ATOM 12453 CD PRO C 24 67.515 17.933 64.408 1.00 46.95 C ATOM 12456 C PRO C 24 64.902 16.046 62.798 1.00 47.53 C ATOM 12457 O PRO C 24 65.687 15.938 61.873 1.00 48.93 O ATOM 12458 N GLN C 25 63.661 15.568 62.799 1.00 50.98 N ATOM 12460 CA GLN C 25 63.096 14.893 61.663 1.00 49.33 C ATOM 12462 CB GLN C 25 62.395 13.625 62.149 1.00 53.14 C ATOM 12465 CG GLN C 25 63.395 12.605 62.669 1.00 48.07 C ATOM 12468 CD GLN C 25 62.765 11.501 63.465 1.00 52.67 C ATOM 12469 OE1 GLN C 25 61.814 10.862 63.017 1.00 63.47 O ATOM 12470 NE2 GLN C 25 63.303 11.255 64.648 1.00 46.81 N ATOM 12473 C GLN C 25 62.148 15.776 60.845 1.00 51.50 C ATOM 12474 O GLN C 25 61.039 16.151 61.274 1.00 46.44 O ATOM 12475 N THR C 26 62.595 16.092 59.643 1.00 49.81 N ATOM 12477 CA THR C 26 61.754 16.827 58.751 1.00 51.29 C ATOM 12479 CB THR C 26 62.462 17.098 57.429 1.00 53.77 C ATOM 12481 OG1 THR C 26 63.759 17.659 57.673 1.00 53.98 O ATOM 12483 CG2 THR C 26 61.709 18.172 56.629 1.00 52.68 C ATOM 12487 C THR C 26 60.555 15.969 58.478 1.00 51.30 C ATOM 12488 O THR C 26 60.666 14.771 58.226 1.00 51.90 O ATOM 12489 N LEU C 27 59.396 16.594 58.530 1.00 50.70 N ATOM 12491 CA LEU C 27 58.174 15.933 58.155 1.00 43.30 C ATOM 12493 CB LEU C 27 57.478 15.409 59.378 1.00 44.64 C ATOM 12496 CG LEU C 27 58.218 14.449 60.281 1.00 45.47 C ATOM 12498 CD1 LEU C 27 57.624 14.540 61.675 1.00 45.75 C ATOM 12502 CD2 LEU C 27 58.122 13.034 59.686 1.00 44.30 C ATOM 12506 C LEU C 27 57.323 17.006 57.577 1.00 39.69 C ATOM 12507 O LEU C 27 57.495 18.143 57.925 1.00 43.38 O ATOM 12508 N ASN C 28 56.412 16.652 56.695 1.00 42.74 N ATOM 12510 CA ASN C 28 55.433 17.586 56.185 1.00 41.37 C ATOM 12512 CB ASN C 28 55.194 17.347 54.703 1.00 42.25 C ATOM 12515 CG ASN C 28 56.215 18.014 53.828 1.00 41.51 C ATOM 12516 OD1 ASN C 28 56.417 17.614 52.679 1.00 48.06 O ATOM 12517 ND2 ASN C 28 56.870 19.034 54.355 1.00 48.36 N ATOM 12520 C ASN C 28 54.144 17.326 56.948 1.00 42.07 C ATOM 12521 O ASN C 28 53.796 16.175 57.196 1.00 42.00 O ATOM 12522 N ILE C 29 53.429 18.388 57.303 1.00 41.25 N ATOM 12524 CA ILE C 29 52.254 18.282 58.144 1.00 38.11 C ATOM 12526 CB ILE C 29 52.581 18.909 59.452 1.00 37.30 C ATOM 12528 CG1 ILE C 29 53.888 18.345 60.002 1.00 37.82 C ATOM 12531 CD1 ILE C 29 53.764 16.947 60.383 1.00 37.89 C ATOM 12535 CG2 ILE C 29 51.428 18.758 60.382 1.00 37.26 C ATOM 12539 C ILE C 29 51.111 19.100 57.605 1.00 41.88 C ATOM 12540 O ILE C 29 51.317 20.272 57.335 1.00 44.35 O ATOM 12541 N LEU C 30 49.924 18.485 57.471 1.00 41.50 N ATOM 12543 CA LEU C 30 48.669 19.159 57.062 1.00 40.03 C ATOM 12545 CB LEU C 30 47.609 18.121 56.699 1.00 36.38 C ATOM 12548 CG LEU C 30 46.175 18.515 56.462 1.00 43.90 C ATOM 12550 CD1 LEU C 30 45.650 17.851 55.272 1.00 48.94 C ATOM 12554 CD2 LEU C 30 45.293 18.120 57.618 1.00 49.66 C ATOM 12558 C LEU C 30 48.071 20.130 58.085 1.00 41.43 C ATOM 12559 O LEU C 30 47.961 19.834 59.261 1.00 44.99 O ATOM 12560 N VAL C 31 47.656 21.300 57.607 1.00 44.35 N ATOM 12562 CA VAL C 31 47.080 22.312 58.460 1.00 40.92 C ATOM 12564 CB VAL C 31 47.300 23.638 57.892 1.00 37.95 C ATOM 12566 CG1 VAL C 31 46.317 24.595 58.524 1.00 41.29 C ATOM 12570 CG2 VAL C 31 48.718 24.068 58.132 1.00 41.26 C ATOM 12574 C VAL C 31 45.574 22.155 58.515 1.00 45.40 C ATOM 12575 O VAL C 31 44.885 22.495 57.555 1.00 46.26 O ATOM 12576 N ASP C 32 45.082 21.674 59.658 1.00 44.37 N ATOM 12578 CA ASP C 32 43.693 21.316 59.849 1.00 42.08 C ATOM 12580 CB ASP C 32 43.648 19.799 60.070 1.00 48.54 C ATOM 12583 CG ASP C 32 42.270 19.279 60.373 1.00 55.02 C ATOM 12584 OD1 ASP C 32 41.331 19.695 59.667 1.00 57.45 O ATOM 12585 OD2 ASP C 32 42.035 18.443 61.298 1.00 54.56 O ATOM 12586 C ASP C 32 42.996 22.030 60.996 1.00 42.96 C ATOM 12587 O ASP C 32 43.171 21.653 62.148 1.00 38.86 O ATOM 12588 N THR C 33 42.205 23.072 60.670 1.00 42.49 N ATOM 12590 CA THR C 33 41.382 23.757 61.655 1.00 34.59 C ATOM 12592 CB THR C 33 41.102 25.275 61.297 1.00 40.43 C ATOM 12594 OG1 THR C 33 40.271 25.418 60.128 1.00 36.06 O ATOM 12596 CG2 THR C 33 42.332 26.064 60.943 1.00 38.42 C ATOM 12600 C THR C 33 40.025 23.151 61.903 1.00 37.84 C ATOM 12601 O THR C 33 39.181 23.773 62.562 1.00 42.84 O ATOM 12602 N GLY C 34 39.792 21.985 61.347 1.00 39.71 N ATOM 12604 CA GLY C 34 38.621 21.204 61.713 1.00 45.14 C ATOM 12607 C GLY C 34 38.955 20.018 62.634 1.00 44.20 C ATOM 12608 O GLY C 34 38.190 19.062 62.710 1.00 44.56 O ATOM 12609 N SER C 35 40.102 20.086 63.318 1.00 39.94 N ATOM 12611 CA SER C 35 40.490 19.124 64.357 1.00 36.97 C ATOM 12613 CB SER C 35 41.195 17.909 63.768 1.00 41.17 C ATOM 12616 OG SER C 35 42.575 18.109 63.530 1.00 39.49 O ATOM 12618 C SER C 35 41.423 19.799 65.385 1.00 41.65 C ATOM 12619 O SER C 35 41.747 20.986 65.259 1.00 38.82 O ATOM 12620 N SER C 36 41.881 19.044 66.384 1.00 41.66 N ATOM 12622 CA SER C 36 42.683 19.621 67.476 1.00 36.97 C ATOM 12624 CB SER C 36 41.755 19.879 68.673 1.00 39.49 C ATOM 12627 OG SER C 36 40.776 20.894 68.393 1.00 34.74 O ATOM 12629 C SER C 36 43.908 18.814 67.975 1.00 40.18 C ATOM 12630 O SER C 36 44.478 19.169 69.000 1.00 46.46 O ATOM 12631 N ASN C 37 44.322 17.742 67.298 1.00 34.55 N ATOM 12633 CA ASN C 37 45.511 17.024 67.723 1.00 36.25 C ATOM 12635 CB ASN C 37 45.259 15.525 67.766 1.00 38.28 C ATOM 12638 CG ASN C 37 44.338 15.132 68.855 1.00 39.72 C ATOM 12639 OD1 ASN C 37 43.120 15.086 68.681 1.00 38.23 O ATOM 12640 ND2 ASN C 37 44.911 14.815 69.992 1.00 37.80 N ATOM 12643 C ASN C 37 46.674 17.175 66.771 1.00 37.54 C ATOM 12644 O ASN C 37 46.475 17.306 65.578 1.00 34.71 O ATOM 12645 N PHE C 38 47.888 17.150 67.322 1.00 35.88 N ATOM 12647 CA PHE C 38 49.090 17.051 66.525 1.00 33.22 C ATOM 12649 CB PHE C 38 50.203 17.902 67.126 1.00 31.39 C ATOM 12652 CG PHE C 38 51.541 17.943 66.303 1.00 37.60 C ATOM 12653 CD1 PHE C 38 52.748 18.100 66.931 1.00 37.64 C ATOM 12655 CE1 PHE C 38 53.864 18.133 66.256 1.00 42.48 C ATOM 12657 CZ PHE C 38 53.869 18.028 64.938 1.00 41.33 C ATOM 12659 CE2 PHE C 38 52.742 17.885 64.307 1.00 43.17 C ATOM 12661 CD2 PHE C 38 51.573 17.844 64.979 1.00 38.57 C ATOM 12663 C PHE C 38 49.361 15.548 66.531 1.00 31.89 C ATOM 12664 O PHE C 38 49.328 14.912 67.596 1.00 30.08 O ATOM 12665 N ALA C 39 49.584 14.984 65.337 1.00 35.67 N ATOM 12667 CA ALA C 39 49.777 13.542 65.135 1.00 35.28 C ATOM 12669 CB ALA C 39 48.450 12.917 65.095 1.00 37.14 C ATOM 12673 C ALA C 39 50.557 13.217 63.833 1.00 41.38 C ATOM 12674 O ALA C 39 50.252 13.780 62.781 1.00 47.14 O ATOM 12675 N VAL C 40 51.556 12.330 63.900 1.00 44.87 N ATOM 12677 CA VAL C 40 52.402 11.999 62.744 1.00 46.80 C ATOM 12679 CB VAL C 40 53.865 12.384 62.950 1.00 51.51 C ATOM 12681 CG1 VAL C 40 54.002 13.840 63.101 1.00 54.58 C ATOM 12685 CG2 VAL C 40 54.444 11.672 64.169 1.00 57.23 C ATOM 12689 C VAL C 40 52.504 10.524 62.628 1.00 44.81 C ATOM 12690 O VAL C 40 52.333 9.858 63.627 1.00 47.35 O ATOM 12691 N GLY C 41 52.796 10.017 61.429 1.00 42.10 N ATOM 12693 CA GLY C 41 53.024 8.600 61.217 1.00 36.51 C ATOM 12696 C GLY C 41 54.331 8.220 61.900 1.00 45.89 C ATOM 12697 O GLY C 41 55.312 8.941 61.803 1.00 41.98 O ATOM 12698 N ALA C 42 54.368 7.083 62.591 1.00 49.43 N ATOM 12700 CA ALA C 42 55.588 6.687 63.291 1.00 46.63 C ATOM 12702 CB ALA C 42 55.434 6.999 64.733 1.00 44.75 C ATOM 12706 C ALA C 42 55.868 5.196 63.096 1.00 50.91 C ATOM 12707 O ALA C 42 56.415 4.512 63.968 1.00 56.15 O ATOM 12708 N ALA C 43 55.494 4.714 61.923 1.00 51.91 N ATOM 12710 CA ALA C 43 55.530 3.302 61.647 1.00 55.01 C ATOM 12712 CB ALA C 43 54.578 2.588 62.522 1.00 56.93 C ATOM 12716 C ALA C 43 55.118 3.057 60.232 1.00 59.43 C ATOM 12717 O ALA C 43 54.070 3.538 59.772 1.00 58.38 O ATOM 12718 N PRO C 44 55.971 2.315 59.555 1.00 59.53 N ATOM 12719 CA PRO C 44 55.738 1.800 58.207 1.00 57.91 C ATOM 12721 CB PRO C 44 56.185 0.392 58.373 1.00 58.24 C ATOM 12724 CG PRO C 44 57.450 0.628 59.193 1.00 60.25 C ATOM 12727 CD PRO C 44 57.296 1.930 60.015 1.00 59.83 C ATOM 12730 C PRO C 44 54.345 1.869 57.679 1.00 51.08 C ATOM 12731 O PRO C 44 53.427 1.440 58.331 1.00 42.11 O ATOM 12732 N HIS C 45 54.228 2.439 56.483 1.00 51.18 N ATOM 12734 CA HIS C 45 52.943 2.516 55.767 1.00 51.14 C ATOM 12736 CB HIS C 45 51.987 3.544 56.361 1.00 49.59 C ATOM 12739 CG HIS C 45 50.664 3.623 55.641 1.00 55.41 C ATOM 12740 ND1 HIS C 45 50.552 4.007 54.318 1.00 50.15 N ATOM 12742 CE1 HIS C 45 49.280 3.983 53.961 1.00 48.42 C ATOM 12744 NE2 HIS C 45 48.563 3.582 54.993 1.00 48.32 N ATOM 12746 CD2 HIS C 45 49.401 3.351 56.058 1.00 50.46 C ATOM 12748 C HIS C 45 53.171 2.803 54.287 1.00 51.98 C ATOM 12749 O HIS C 45 53.986 3.610 53.912 1.00 58.52 O ATOM 12750 N PRO C 46 52.430 2.123 53.444 1.00 59.22 N ATOM 12751 CA PRO C 46 52.535 2.244 51.977 1.00 58.93 C ATOM 12753 CB PRO C 46 51.381 1.382 51.492 1.00 60.36 C ATOM 12756 CG PRO C 46 51.169 0.420 52.553 1.00 62.16 C ATOM 12759 CD PRO C 46 51.412 1.141 53.851 1.00 58.40 C ATOM 12762 C PRO C 46 52.263 3.601 51.375 1.00 60.75 C ATOM 12763 O PRO C 46 52.429 3.742 50.152 1.00 66.57 O ATOM 12764 N PHE C 47 51.820 4.582 52.146 1.00 53.51 N ATOM 12766 CA PHE C 47 51.687 5.885 51.534 1.00 54.37 C ATOM 12768 CB PHE C 47 50.227 6.362 51.593 1.00 55.83 C ATOM 12771 CG PHE C 47 49.248 5.477 50.798 1.00 56.85 C ATOM 12772 CD1 PHE C 47 47.889 5.498 51.069 1.00 53.21 C ATOM 12774 CE1 PHE C 47 47.022 4.712 50.358 1.00 58.68 C ATOM 12776 CZ PHE C 47 47.494 3.872 49.346 1.00 53.11 C ATOM 12778 CE2 PHE C 47 48.802 3.834 49.068 1.00 53.10 C ATOM 12780 CD2 PHE C 47 49.693 4.630 49.784 1.00 59.43 C ATOM 12782 C PHE C 47 52.728 6.896 52.106 1.00 53.35 C ATOM 12783 O PHE C 47 52.739 8.075 51.708 1.00 47.38 O ATOM 12784 N LEU C 48 53.602 6.407 52.998 1.00 47.46 N ATOM 12786 CA LEU C 48 54.627 7.217 53.677 1.00 48.00 C ATOM 12788 CB LEU C 48 54.585 6.868 55.163 1.00 44.63 C ATOM 12791 CG LEU C 48 53.203 7.093 55.770 1.00 36.89 C ATOM 12793 CD1 LEU C 48 53.226 7.095 57.269 1.00 32.35 C ATOM 12797 CD2 LEU C 48 52.716 8.414 55.326 1.00 43.78 C ATOM 12801 C LEU C 48 56.055 7.010 53.206 1.00 49.23 C ATOM 12802 O LEU C 48 56.512 5.888 53.245 1.00 51.31 O ATOM 12803 N HIS C 49 56.741 8.082 52.772 1.00 54.74 N ATOM 12805 CA HIS C 49 58.138 8.036 52.290 1.00 55.16 C ATOM 12807 CB HIS C 49 58.563 9.276 51.513 1.00 62.74 C ATOM 12810 CG HIS C 49 57.851 9.479 50.216 1.00 80.32 C ATOM 12811 ND1 HIS C 49 57.953 8.596 49.157 1.00 90.23 N ATOM 12813 CE1 HIS C 49 57.221 9.041 48.148 1.00 90.85 C ATOM 12815 NE2 HIS C 49 56.653 10.180 48.512 1.00 88.40 N ATOM 12817 CD2 HIS C 49 57.032 10.477 49.799 1.00 85.66 C ATOM 12819 C HIS C 49 58.985 8.110 53.491 1.00 52.56 C ATOM 12820 O HIS C 49 60.083 7.550 53.529 1.00 57.27 O ATOM 12821 N ARG C 50 58.495 8.859 54.472 1.00 46.86 N ATOM 12823 CA ARG C 50 59.152 8.928 55.749 1.00 44.15 C ATOM 12825 CB ARG C 50 60.123 10.094 55.776 1.00 47.15 C ATOM 12828 CG ARG C 50 59.543 11.362 55.346 1.00 48.57 C ATOM 12831 CD ARG C 50 60.498 12.504 55.358 1.00 47.15 C ATOM 12834 NE ARG C 50 59.733 13.667 54.935 1.00 57.92 N ATOM 12836 CZ ARG C 50 60.210 14.894 54.724 1.00 57.78 C ATOM 12837 NH1 ARG C 50 61.491 15.192 54.882 1.00 51.00 N ATOM 12840 NH2 ARG C 50 59.366 15.835 54.342 1.00 59.97 N ATOM 12843 C ARG C 50 58.192 9.000 56.918 1.00 40.60 C ATOM 12844 O ARG C 50 56.992 9.149 56.762 1.00 38.05 O ATOM 12845 N TYR C 51 58.746 8.873 58.107 1.00 43.42 N ATOM 12847 CA TYR C 51 57.961 8.988 59.304 1.00 46.93 C ATOM 12849 CB TYR C 51 57.068 7.774 59.414 1.00 48.86 C ATOM 12852 CG TYR C 51 57.838 6.503 59.490 1.00 57.25 C ATOM 12853 CD1 TYR C 51 58.167 5.944 60.706 1.00 59.52 C ATOM 12855 CE1 TYR C 51 58.876 4.753 60.768 1.00 64.00 C ATOM 12857 CZ TYR C 51 59.260 4.118 59.593 1.00 65.22 C ATOM 12858 OH TYR C 51 59.966 2.928 59.626 1.00 68.18 O ATOM 12860 CE2 TYR C 51 58.939 4.662 58.380 1.00 61.62 C ATOM 12862 CD2 TYR C 51 58.236 5.844 58.331 1.00 62.51 C ATOM 12864 C TYR C 51 58.822 9.143 60.563 1.00 40.91 C ATOM 12865 O TYR C 51 59.999 8.948 60.522 1.00 42.94 O ATOM 12866 N TYR C 52 58.190 9.503 61.674 1.00 40.91 N ATOM 12868 CA TYR C 52 58.832 9.726 62.976 1.00 40.27 C ATOM 12870 CB TYR C 52 57.747 10.233 63.886 1.00 41.76 C ATOM 12873 CG TYR C 52 58.122 10.764 65.232 1.00 41.11 C ATOM 12874 CD1 TYR C 52 59.174 11.588 65.399 1.00 47.30 C ATOM 12876 CE1 TYR C 52 59.492 12.084 66.637 1.00 50.41 C ATOM 12878 CZ TYR C 52 58.750 11.768 67.719 1.00 49.29 C ATOM 12879 OH TYR C 52 59.121 12.304 68.943 1.00 53.62 O ATOM 12881 CE2 TYR C 52 57.685 10.943 67.579 1.00 46.11 C ATOM 12883 CD2 TYR C 52 57.377 10.449 66.340 1.00 46.35 C ATOM 12885 C TYR C 52 59.394 8.525 63.684 1.00 41.56 C ATOM 12886 O TYR C 52 58.631 7.656 64.087 1.00 42.35 O ATOM 12887 N GLN C 53 60.711 8.500 63.860 1.00 44.45 N ATOM 12889 CA GLN C 53 61.404 7.421 64.534 1.00 41.54 C ATOM 12891 CB GLN C 53 62.681 7.086 63.790 1.00 44.38 C ATOM 12894 CG GLN C 53 62.440 6.932 62.289 1.00 51.42 C ATOM 12897 CD GLN C 53 63.227 5.794 61.672 1.00 59.82 C ATOM 12898 OE1 GLN C 53 63.842 5.956 60.617 1.00 61.98 O ATOM 12899 NE2 GLN C 53 63.204 4.638 62.321 1.00 67.41 N ATOM 12902 C GLN C 53 61.698 7.905 65.919 1.00 39.42 C ATOM 12903 O GLN C 53 62.595 8.716 66.122 1.00 53.39 O ATOM 12904 N ARG C 54 60.926 7.410 66.862 1.00 38.63 N ATOM 12906 CA ARG C 54 61.004 7.780 68.276 1.00 42.43 C ATOM 12908 CB ARG C 54 59.828 7.175 69.000 1.00 39.75 C ATOM 12911 CG ARG C 54 58.574 8.077 68.924 1.00 40.81 C ATOM 12914 CD ARG C 54 57.389 7.431 69.538 1.00 39.95 C ATOM 12917 NE ARG C 54 57.137 6.168 68.844 1.00 40.64 N ATOM 12919 CZ ARG C 54 56.124 5.372 69.092 1.00 45.54 C ATOM 12920 NH1 ARG C 54 55.230 5.686 70.027 1.00 47.14 N ATOM 12923 NH2 ARG C 54 56.000 4.257 68.396 1.00 48.98 N ATOM 12926 C ARG C 54 62.219 7.302 69.005 1.00 47.24 C ATOM 12927 O ARG C 54 62.621 7.870 70.013 1.00 49.66 O ATOM 12928 N GLN C 55 62.795 6.236 68.482 1.00 55.23 N ATOM 12930 CA GLN C 55 63.960 5.624 69.061 1.00 55.09 C ATOM 12932 CB GLN C 55 64.162 4.277 68.388 1.00 60.40 C ATOM 12935 CG GLN C 55 64.836 4.423 67.025 1.00 62.46 C ATOM 12938 CD GLN C 55 63.988 4.048 65.850 1.00 61.26 C ATOM 12939 OE1 GLN C 55 64.541 3.682 64.814 1.00 62.44 O ATOM 12940 NE2 GLN C 55 62.663 4.155 65.977 1.00 55.40 N ATOM 12943 C GLN C 55 65.197 6.491 68.835 1.00 54.46 C ATOM 12944 O GLN C 55 66.185 6.363 69.567 1.00 57.35 O ATOM 12945 N LEU C 56 65.157 7.368 67.828 1.00 51.48 N ATOM 12947 CA LEU C 56 66.331 8.196 67.506 1.00 50.79 C ATOM 12949 CB LEU C 56 66.500 8.354 65.983 1.00 51.27 C ATOM 12952 CG LEU C 56 66.445 7.101 65.101 1.00 51.47 C ATOM 12954 CD1 LEU C 56 66.780 7.437 63.654 1.00 48.56 C ATOM 12958 CD2 LEU C 56 67.364 6.071 65.629 1.00 47.53 C ATOM 12962 C LEU C 56 66.333 9.594 68.071 1.00 46.70 C ATOM 12963 O LEU C 56 67.129 10.385 67.639 1.00 50.22 O ATOM 12964 N SER C 57 65.453 9.904 69.012 1.00 48.97 N ATOM 12966 CA SER C 57 65.298 11.260 69.565 1.00 45.66 C ATOM 12968 CB SER C 57 63.841 11.680 69.338 1.00 44.35 C ATOM 12971 OG SER C 57 63.487 12.916 69.932 1.00 48.13 O ATOM 12973 C SER C 57 65.585 11.166 71.061 1.00 45.21 C ATOM 12974 O SER C 57 64.960 10.361 71.721 1.00 46.15 O ATOM 12975 N SER C 58 66.513 11.955 71.608 1.00 45.62 N ATOM 12977 CA SER C 58 66.828 11.885 73.068 1.00 44.99 C ATOM 12979 CB SER C 58 68.186 12.471 73.363 1.00 39.39 C ATOM 12982 OG SER C 58 68.146 13.786 72.887 1.00 39.14 O ATOM 12984 C SER C 58 65.869 12.689 73.911 1.00 44.75 C ATOM 12985 O SER C 58 65.676 12.433 75.101 1.00 48.81 O ATOM 12986 N THR C 59 65.272 13.684 73.297 1.00 44.46 N ATOM 12988 CA THR C 59 64.320 14.493 73.998 1.00 44.45 C ATOM 12990 CB THR C 59 64.257 15.835 73.328 1.00 39.83 C ATOM 12992 OG1 THR C 59 63.953 15.610 71.960 1.00 44.67 O ATOM 12994 CG2 THR C 59 65.592 16.504 73.267 1.00 42.08 C ATOM 12998 C THR C 59 62.910 13.889 73.942 1.00 49.34 C ATOM 12999 O THR C 59 61.953 14.574 74.329 1.00 60.35 O ATOM 13000 N TYR C 60 62.732 12.652 73.481 1.00 45.28 N ATOM 13002 CA TYR C 60 61.378 12.126 73.373 1.00 42.73 C ATOM 13004 CB TYR C 60 61.255 11.078 72.235 1.00 44.34 C ATOM 13007 CG TYR C 60 60.194 10.045 72.509 1.00 39.04 C ATOM 13008 CD1 TYR C 60 58.876 10.239 72.078 1.00 35.41 C ATOM 13010 CE1 TYR C 60 57.873 9.308 72.344 1.00 37.20 C ATOM 13012 CZ TYR C 60 58.178 8.161 73.048 1.00 48.24 C ATOM 13013 OH TYR C 60 57.188 7.246 73.312 1.00 56.91 O ATOM 13015 CE2 TYR C 60 59.496 7.934 73.495 1.00 47.13 C ATOM 13017 CD2 TYR C 60 60.496 8.895 73.223 1.00 35.96 C ATOM 13019 C TYR C 60 61.040 11.487 74.690 1.00 47.68 C ATOM 13020 O TYR C 60 61.858 10.721 75.189 1.00 47.26 O ATOM 13021 N ARG C 61 59.843 11.823 75.211 1.00 48.05 N ATOM 13023 CA ARG C 61 59.216 11.303 76.438 1.00 46.98 C ATOM 13025 CB ARG C 61 58.773 12.440 77.347 1.00 49.63 C ATOM 13028 CG ARG C 61 59.774 12.823 78.369 1.00 60.48 C ATOM 13031 CD ARG C 61 60.050 11.712 79.429 1.00 66.22 C ATOM 13034 NE ARG C 61 60.843 10.550 78.950 1.00 69.25 N ATOM 13036 CZ ARG C 61 62.129 10.585 78.575 1.00 73.53 C ATOM 13037 NH1 ARG C 61 62.838 11.717 78.591 1.00 76.07 N ATOM 13040 NH2 ARG C 61 62.719 9.472 78.174 1.00 74.09 N ATOM 13043 C ARG C 61 57.932 10.601 76.126 1.00 46.33 C ATOM 13044 O ARG C 61 57.148 11.136 75.381 1.00 41.21 O ATOM 13045 N ASP C 62 57.694 9.431 76.724 1.00 52.19 N ATOM 13047 CA ASP C 62 56.483 8.630 76.471 1.00 53.39 C ATOM 13049 CB ASP C 62 56.850 7.160 76.486 1.00 54.99 C ATOM 13052 CG ASP C 62 55.795 6.279 75.881 1.00 58.08 C ATOM 13053 OD1 ASP C 62 54.599 6.664 75.822 1.00 57.84 O ATOM 13054 OD2 ASP C 62 56.086 5.151 75.442 1.00 62.01 O ATOM 13055 C ASP C 62 55.442 8.874 77.549 1.00 52.07 C ATOM 13056 O ASP C 62 55.779 8.845 78.699 1.00 48.18 O ATOM 13057 N LEU C 63 54.192 9.116 77.150 1.00 57.80 N ATOM 13059 CA LEU C 63 53.075 9.402 78.057 1.00 56.98 C ATOM 13061 CB LEU C 63 52.160 10.437 77.404 1.00 57.29 C ATOM 13064 CG LEU C 63 52.776 11.820 77.240 1.00 58.93 C ATOM 13066 CD1 LEU C 63 51.756 12.771 76.610 1.00 58.33 C ATOM 13070 CD2 LEU C 63 53.270 12.356 78.568 1.00 56.05 C ATOM 13074 C LEU C 63 52.234 8.183 78.511 1.00 57.00 C ATOM 13075 O LEU C 63 51.489 8.276 79.475 1.00 56.10 O ATOM 13076 N ARG C 64 52.323 7.053 77.828 1.00 60.31 N ATOM 13078 CA ARG C 64 51.702 5.821 78.337 1.00 63.72 C ATOM 13080 CB ARG C 64 52.093 5.634 79.801 1.00 66.02 C ATOM 13083 CG ARG C 64 53.077 4.540 80.025 1.00 71.85 C ATOM 13086 CD ARG C 64 54.241 4.949 80.865 1.00 76.21 C ATOM 13089 NE ARG C 64 55.478 4.473 80.255 1.00 83.39 N ATOM 13091 CZ ARG C 64 55.840 4.763 79.018 1.00 86.32 C ATOM 13092 NH1 ARG C 64 55.045 5.527 78.271 1.00 87.82 N ATOM 13095 NH2 ARG C 64 56.989 4.300 78.528 1.00 87.10 N ATOM 13098 C ARG C 64 50.204 5.790 78.293 1.00 63.01 C ATOM 13099 O ARG C 64 49.556 5.513 79.292 1.00 67.08 O ATOM 13100 N LYS C 65 49.639 6.056 77.135 1.00 62.20 N ATOM 13102 CA LYS C 65 48.203 6.201 77.021 1.00 56.21 C ATOM 13104 CB LYS C 65 47.742 7.574 77.559 1.00 53.38 C ATOM 13107 CG LYS C 65 46.223 7.711 77.701 1.00 61.59 C ATOM 13110 CD LYS C 65 45.772 8.749 78.771 1.00 65.72 C ATOM 13113 CE LYS C 65 46.070 10.201 78.354 1.00 68.02 C ATOM 13116 NZ LYS C 65 45.991 11.186 79.492 1.00 69.89 N ATOM 13120 C LYS C 65 48.062 6.104 75.552 1.00 50.29 C ATOM 13121 O LYS C 65 48.950 6.506 74.846 1.00 42.57 O ATOM 13122 N GLY C 66 46.965 5.552 75.088 1.00 53.19 N ATOM 13124 CA GLY C 66 46.748 5.388 73.668 1.00 53.88 C ATOM 13127 C GLY C 66 45.712 6.406 73.280 1.00 55.77 C ATOM 13128 O GLY C 66 44.967 6.899 74.141 1.00 61.89 O ATOM 13129 N VAL C 67 45.654 6.713 71.993 1.00 52.57 N ATOM 13131 CA VAL C 67 44.753 7.726 71.494 1.00 52.31 C ATOM 13133 CB VAL C 67 45.485 9.074 71.457 1.00 56.46 C ATOM 13135 CG1 VAL C 67 46.912 8.861 71.015 1.00 61.44 C ATOM 13139 CG2 VAL C 67 44.798 10.083 70.564 1.00 59.86 C ATOM 13143 C VAL C 67 44.323 7.234 70.146 1.00 45.56 C ATOM 13144 O VAL C 67 45.009 6.468 69.525 1.00 50.56 O ATOM 13145 N TYR C 68 43.162 7.646 69.703 1.00 46.81 N ATOM 13147 CA TYR C 68 42.612 7.210 68.435 1.00 49.00 C ATOM 13149 CB TYR C 68 41.772 5.909 68.608 1.00 53.23 C ATOM 13152 CG TYR C 68 40.433 6.120 69.280 1.00 57.32 C ATOM 13153 CD1 TYR C 68 39.298 6.444 68.537 1.00 61.05 C ATOM 13155 CE1 TYR C 68 38.076 6.653 69.151 1.00 62.40 C ATOM 13157 CZ TYR C 68 37.980 6.524 70.533 1.00 65.60 C ATOM 13158 OH TYR C 68 36.814 6.708 71.234 1.00 73.33 O ATOM 13160 CE2 TYR C 68 39.076 6.200 71.277 1.00 68.48 C ATOM 13162 CD2 TYR C 68 40.302 6.000 70.658 1.00 61.58 C ATOM 13164 C TYR C 68 41.731 8.358 68.011 1.00 45.30 C ATOM 13165 O TYR C 68 41.033 8.953 68.837 1.00 41.65 O ATOM 13166 N VAL C 69 41.749 8.698 66.735 1.00 45.31 N ATOM 13168 CA VAL C 69 40.903 9.802 66.283 1.00 40.69 C ATOM 13170 CB VAL C 69 41.736 11.055 66.122 1.00 38.52 C ATOM 13172 CG1 VAL C 69 40.861 12.229 65.749 1.00 42.88 C ATOM 13176 CG2 VAL C 69 42.426 11.348 67.410 1.00 38.40 C ATOM 13180 C VAL C 69 40.159 9.561 64.990 1.00 38.40 C ATOM 13181 O VAL C 69 40.759 9.309 63.978 1.00 36.05 O ATOM 13182 N PRO C 70 38.837 9.625 65.047 1.00 41.06 N ATOM 13183 CA PRO C 70 37.978 9.597 63.862 1.00 41.06 C ATOM 13185 CB PRO C 70 36.731 8.856 64.378 1.00 39.33 C ATOM 13188 CG PRO C 70 36.868 8.792 65.844 1.00 34.86 C ATOM 13191 CD PRO C 70 38.030 9.668 66.268 1.00 41.35 C ATOM 13194 C PRO C 70 37.582 11.001 63.320 1.00 43.22 C ATOM 13195 O PRO C 70 37.305 11.927 64.102 1.00 41.52 O ATOM 13196 N TYR C 71 37.561 11.119 61.985 1.00 48.43 N ATOM 13198 CA TYR C 71 37.249 12.328 61.206 1.00 45.43 C ATOM 13200 CB TYR C 71 38.446 12.615 60.317 1.00 47.57 C ATOM 13203 CG TYR C 71 39.761 12.912 61.024 1.00 45.81 C ATOM 13204 CD1 TYR C 71 39.997 14.125 61.636 1.00 46.17 C ATOM 13206 CE1 TYR C 71 41.203 14.358 62.268 1.00 46.12 C ATOM 13208 CZ TYR C 71 42.180 13.407 62.281 1.00 42.63 C ATOM 13209 OH TYR C 71 43.393 13.608 62.893 1.00 42.50 O ATOM 13211 CE2 TYR C 71 41.963 12.246 61.683 1.00 44.84 C ATOM 13213 CD2 TYR C 71 40.770 11.993 61.062 1.00 47.18 C ATOM 13215 C TYR C 71 36.034 12.055 60.270 1.00 48.45 C ATOM 13216 O TYR C 71 35.606 10.915 60.053 1.00 45.82 O ATOM 13217 N THR C 72 35.456 13.081 59.683 1.00 47.92 N ATOM 13219 CA THR C 72 34.356 12.805 58.760 1.00 45.15 C ATOM 13221 CB THR C 72 34.027 14.021 57.966 1.00 40.98 C ATOM 13223 OG1 THR C 72 33.809 15.111 58.867 1.00 39.12 O ATOM 13225 CG2 THR C 72 32.706 13.846 57.309 1.00 48.15 C ATOM 13229 C THR C 72 34.709 11.612 57.857 1.00 45.22 C ATOM 13230 O THR C 72 33.884 19.719 57.657 1.00 47.99 O ATOM 13231 N GLN C 73 35.919 11.612 57.302 1.00 47.77 N ATOM 13233 CA GLN C 73 36.473 10.435 56.643 1.00 48.67 C ATOM 13235 CB GLN C 73 36.522 10.536 55.123 1.00 48.78 C ATOM 13238 CG GLN C 73 35.190 10.873 54.510 1.00 58.10 C ATOM 13241 CD GLN C 73 34.661 9.825 53.533 1.00 65.47 C ATOM 13242 OE1 GLN C 73 34.197 10.163 52.435 1.00 72.75 O ATOM 13243 NE2 GLN C 73 34.701 8.555 53.939 1.00 71.25 N ATOM 13246 C GLN C 73 37.866 10.291 57.206 1.00 53.92 C ATOM 13247 O GLN C 73 38.559 11.293 57.431 1.00 59.91 O ATOM 13248 N GLY C 74 38.274 9.049 57.462 1.00 55.15 N ATOM 13250 CA GLY C 74 39.616 8.758 57.943 1.00 45.87 C ATOM 13253 C GLY C 74 39.679 8.620 59.445 1.00 44.69 C ATOM 13254 O GLY C 74 38.937 9.283 60.166 1.00 46.21 O ATOM 13255 N LYS C 75 40.548 7.729 59.907 1.00 42.25 N ATOM 13257 CA LYS C 75 40.894 7.639 61.306 1.00 40.58 C ATOM 13259 CB LYS C 75 39.809 6.919 62.124 1.00 48.07 C ATOM 13262 CG LYS C 75 39.614 5.420 61.883 1.00 48.51 C ATOM 13265 CD LYS C 75 38.232 4.997 62.417 1.00 56.60 C ATOM 13268 CE LYS C 75 37.077 5.271 61.414 1.00 56.69 C ATOM 13271 NZ LYS C 75 36.653 4.074 60.594 1.00 52.24 N ATOM 13275 C LYS C 75 42.270 6.970 61.410 1.00 41.75 C ATOM 13276 O LYS C 75 42.739 6.338 60.471 1.00 36.13 O ATOM 13277 N TRP C 76 42.928 7.114 62.547 1.00 40.64 N ATOM 13279 CA TRP C 76 44.226 6.491 62.759 1.00 41.83 C ATOM 13281 CB TRP C 76 45.383 7.434 62.347 1.00 46.53 C ATOM 13284 CG TRP C 76 45.243 8.876 62.701 1.00 48.68 C ATOM 13285 CD1 TRP C 76 44.953 9.877 61.845 1.00 52.07 C ATOM 13287 NE1 TRP C 76 44.909 11.087 62.505 1.00 48.68 N ATOM 13289 CE2 TRP C 76 45.183 10.869 63.828 1.00 35.18 C ATOM 13290 CD2 TRP C 76 45.401 9.492 63.992 1.00 46.84 C ATOM 13291 CE3 TRP C 76 45.705 9.007 65.273 1.00 46.09 C ATOM 13293 CZ3 TRP C 76 45.773 9.884 66.311 1.00 41.49 C ATOM 13295 CH2 TRP C 76 45.548 11.258 66.099 1.00 43.75 C ATOM 13297 CZ2 TRP C 76 45.254 11.751 64.859 1.00 38.46 C ATOM 13299 C TRP C 76 44.298 6.196 64.227 1.00 41.30 C ATOM 13300 O TRP C 76 43.547 6.756 65.015 1.00 44.46 O ATOM 13301 N GLU C 77 45.182 5.313 64.634 1.00 45.94 N ATOM 13303 CA GLU C 77 45.296 5.053 66.052 1.00 48.17 C ATOM 13305 CB GLU C 77 44.775 3.663 66.408 1.00 52.51 C ATOM 13308 CG GLU C 77 44.214 3.526 67.827 1.00 59.61 C ATOM 13311 CD GLU C 77 43.153 2.429 67.948 1.00 63.65 C ATOM 13312 OE1 GLU C 77 42.966 1.729 66.889 1.00 61.90 O ATOM 13313 OE2 GLU C 77 42.540 2.277 69.099 1.00 61.88 O ATOM 13314 C GLU C 77 46.744 5.240 66.353 1.00 44.15 C ATOM 13315 O GLU C 77 47.580 5.038 65.481 1.00 50.71 O ATOM 13316 N GLY C 78 47.044 5.661 67.572 1.00 45.58 N ATOM 13318 CA GLY C 78 48.423 5.866 67.994 1.00 45.17 C ATOM 13321 C GLY C 78 48.639 5.842 69.506 1.00 47.59 C ATOM 13322 O GLY C 78 47.757 5.539 70.298 1.00 51.18 O ATOM 13323 N GLU C 79 49.850 6.195 69.897 1.00 49.48 N ATOM 13325 CA GLU C 79 50.272 6.234 71.275 1.00 48.73 C ATOM 13327 CB GLU C 79 51.404 5.178 71.418 1.00 56.64 C ATOM 13330 CG GLU C 79 51.511 4.299 70.145 1.00 57.50 C ATOM 13333 CD GLU C 79 52.118 2.920 70.337 1.00 61.57 C ATOM 13334 OE1 GLU C 79 51.371 1.881 70.186 1.00 64.71 O ATOM 13335 OE2 GLU C 79 53.349 2.881 70.607 1.00 68.25 O ATOM 13336 C GLU C 79 50.759 7.688 71.503 1.00 47.19 C ATOM 13337 O GLU C 79 51.353 8.279 70.596 1.00 48.26 O ATOM 13338 N LEU C 80 50.507 8.280 72.669 1.00 42.10 N ATOM 13340 CA LEU C 80 50.942 9.647 72.904 1.00 39.01 C ATOM 13342 CB LEU C 80 50.042 10.306 73.887 1.00 41.35 C ATOM 13345 CG LEU C 80 48.580 10.390 73.740 1.00 42.44 C ATOM 13347 CD1 LEU C 80 48.100 10.134 75.134 1.00 42.44 C ATOM 13351 CD2 LEU C 80 48.212 11.816 73.219 1.00 38.22 C ATOM 13355 C LEU C 80 52.283 9.789 73.570 1.00 41.97 C ATOM 13356 O LEU C 80 52.812 8.841 74.152 1.00 41.89 O ATOM 13357 N GLY C 81 52.791 11.022 73.540 1.00 42.33 N ATOM 13359 CA GLY C 81 54.096 11.359 74.080 1.00 37.86 C ATOM 13362 C GLY C 81 54.408 12.832 73.856 1.00 38.28 C ATOM 13363 O GLY C 81 53.588 13.564 73.363 1.00 41.07 O ATOM 13364 N THR C 82 55.593 13.298 74.206 1.00 42.53 N ATOM 13366 CA THR C 82 55.918 14.658 73.863 1.00 45.55 C ATOM 13368 CB THR C 82 55.774 15.597 75.028 1.00 47.68 C ATOM 13370 OG1 THR C 82 56.874 15.384 75.898 1.00 52.01 O ATOM 13372 CG2 THR C 82 54.529 15.315 75.871 1.00 49.71 C ATOM 13376 C THR C 82 57.341 14.742 73.407 1.00 46.27 C ATOM 13377 O THR C 82 58.187 13.956 73.830 1.00 44.96 O ATOM 13378 N ASP C 83 57.616 15.725 72.551 1.00 43.18 N ATOM 13380 CA ASP C 83 58.959 15.904 72.074 1.00 39.07 C ATOM 13382 CB ASP C 83 59.194 14.931 70.959 1.00 35.57 C ATOM 13385 CG ASP C 83 60.621 14.729 70.684 1.00 45.60 C ATOM 13386 OD1 ASP C 83 61.426 15.599 71.102 1.00 43.07 O ATOM 13387 OD2 ASP C 83 61.036 13.724 70.063 1.00 50.85 O ATOM 13388 C ASP C 83 59.095 17.351 71.621 1.00 41.05 C ATOM 13389 O ASP C 83 58.131 18.100 71.679 1.00 44.03 O ATOM 13390 N LEU C 84 60.277 17.758 71.173 1.00 41.47 N ATOM 13392 CA LEU C 84 60.484 19.150 70.752 1.00 40.67 C ATOM 13394 CB LEU C 84 61.977 19.519 70.806 1.00 39.63 C ATOM 13397 CG LEU C 84 62.501 19.477 72.235 1.00 38.29 C ATOM 13399 CD1 LEU C 84 63.972 19.866 72.384 1.00 41.18 C ATOM 13403 CD2 LEU C 84 61.664 20.398 72.966 1.00 35.07 C ATOM 13407 C LEU C 84 59.986 19.298 69.361 1.00 38.41 C ATOM 13408 O LEU C 84 60.002 18.363 68.623 1.00 46.50 O ATOM 13409 N VAL C 85 59.563 20.484 68.990 1.00 42.93 N ATOM 13411 CA VAL C 85 59.011 20.699 67.676 1.00 43.40 C ATOM 13413 CB VAL C 85 57.500 20.553 67.711 1.00 46.20 C ATOM 13415 CG1 VAL C 85 56.968 20.747 66.352 1.00 46.59 C ATOM 13419 CG2 VAL C 85 57.087 19.179 68.253 1.00 45.29 C ATOM 13423 C VAL C 85 59.260 22.100 67.248 1.00 45.84 C ATOM 13424 O VAL C 85 58.967 23.024 68.017 1.00 51.25 O ATOM 13425 N SER C 86 59.787 22.268 66.035 1.00 46.65 N ATOM 13427 CA SER C 86 60.049 23.583 65.454 1.00 43.45 C ATOM 13429 CB SER C 86 61.523 23.738 65.141 1.00 49.82 C ATOM 13432 OG SER C 86 62.315 22.686 65.709 1.00 55.85 O ATOM 13434 C SER C 86 59.319 23.747 64.148 1.00 46.29 C ATOM 13435 O SER C 86 58.902 22.798 63.540 1.00 51.68 O ATOM 13436 N ILE C 87 59.125 24.972 63.700 1.00 52.23 N ATOM 13438 CA ILE C 87 58.619 25.168 62.345 1.00 49.09 C ATOM 13440 CB ILE C 87 57.218 25.802 62.337 1.00 45.63 C ATOM 13442 CG1 ILE C 87 56.382 25.334 63.533 1.00 45.33 C ATOM 13445 CD1 ILE C 87 54.875 25.472 63.339 1.00 45.27 C ATOM 13449 CG2 ILE C 87 56.523 25.509 61.022 1.00 47.91 C ATOM 13453 C ILE C 87 59.645 25.999 61.570 1.00 49.56 C ATOM 13454 O ILE C 87 59.723 27.206 61.765 1.00 58.01 O ATOM 13455 N PRO C 88 60.434 25.374 60.701 1.00 50.26 N ATOM 13456 CA PRO C 88 61.496 26.064 59.944 1.00 51.41 C ATOM 13458 CB PRO C 88 61.956 25.005 58.920 1.00 51.62 C ATOM 13461 CG PRO C 88 61.429 23.694 59.411 1.00 48.25 C ATOM 13464 CD PRO C 88 60.353 23.944 60.378 1.00 48.79 C ATOM 13467 C PRO C 88 61.054 27.350 59.206 1.00 52.93 C ATOM 13468 O PRO C 88 61.716 28.356 59.329 1.00 52.58 O ATOM 13469 N HIS C 89 59.970 27.330 58.447 1.00 52.36 N ATOM 13471 CA HIS C 89 59.525 28.548 57.787 1.00 50.37 C ATOM 13473 CB HIS C 89 59.057 28.232 56.379 1.00 50.86 C ATOM 13476 CG HIS C 89 60.154 27.730 55.490 1.00 56.99 C ATOM 13477 ND1 HIS C 89 61.204 28.524 55.084 1.00 62.43 N ATOM 13479 CE1 HIS C 89 62.012 27.830 54.307 1.00 57.84 C ATOM 13481 NE2 HIS C 89 61.528 26.610 54.196 1.00 56.97 N ATOM 13483 CD2 HIS C 89 60.368 26.521 54.928 1.00 59.06 C ATOM 13485 C HIS C 89 58.422 29.176 58.631 1.00 50.27 C ATOM 13486 O HIS C 89 57.299 29.343 58.186 1.00 51.95 O ATOM 13487 N GLY C 90 58.780 29.525 59.865 1.00 51.98 N ATOM 13489 CA GLY C 90 57.866 30.031 60.882 1.00 49.95 C ATOM 13492 C GLY C 90 58.685 30.687 61.980 1.00 47.79 C ATOM 13493 O GLY C 90 59.913 30.701 61.889 1.00 57.85 O ATOM 13494 N PRO C 91 58.029 31.167 63.034 1.00 42.33 N ATOM 13495 CA PRO C 91 58.688 32.056 63.990 1.00 45.30 C ATOM 13497 CB PRO C 91 57.586 32.447 64.952 1.00 43.17 C ATOM 13500 CG PRO C 91 56.415 31.674 64.623 1.00 41.44 C ATOM 13503 CD PRO C 91 56.658 30.820 63.433 1.00 45.00 C ATOM 13506 C PRO C 91 59.751 31.213 64.620 1.00 48.09 C ATOM 13507 O PRO C 91 59.535 30.024 64.624 1.00 54.44 O ATOM 13508 N GLN C 92 60.843 31.737 65.131 1.00 53.59 N ATOM 13510 CA GLN C 92 61.921 30.814 65.443 1.00 59.67 C ATOM 13512 CB GLN C 92 63.309 31.354 65.139 1.00 62.99 C ATOM 13515 CG GLN C 92 63.355 32.565 64.259 1.00 69.98 C ATOM 13518 CD GLN C 92 64.686 32.618 63.546 1.00 76.93 C ATOM 13519 OE1 GLN C 92 65.246 31.554 63.191 1.00 79.49 O ATOM 13520 NE2 GLN C 92 65.210 33.837 63.335 1.00 74.23 N ATOM 13523 C GLN C 92 61.893 30.449 66.851 1.00 59.04 C ATOM 13524 O GLN C 92 62.643 30.978 67.638 1.00 67.08 O ATOM 13525 N VAL C 93 61.035 29.507 67.152 1.00 57.44 N ATOM 13527 CA VAL C 93 60.894 29.057 68.483 1.00 58.21 C ATOM 13529 CB VAL C 93 59.535 29.387 68.986 1.00 60.39 C ATOM 13531 CG1 VAL C 93 59.427 30.878 69.168 1.00 64.36 C ATOM 13535 CG2 VAL C 93 58.494 28.878 68.008 1.00 60.84 C ATOM 13539 C VAL C 93 61.032 27.581 68.473 1.00 59.93 C ATOM 13540 O VAL C 93 61.183 26.945 67.436 1.00 63.78 O ATOM 13541 N THR C 94 60.970 27.039 69.664 1.00 60.01 N ATOM 13543 CA THR C 94 61.045 25.637 69.862 1.00 58.54 C ATOM 13545 CB THR C 94 62.448 25.299 70.252 1.00 59.14 C ATOM 13547 OG1 THR C 94 63.337 26.190 69.577 1.00 65.27 O ATOM 13549 CG2 THR C 94 62.847 23.941 69.736 1.00 60.54 C ATOM 13553 C THR C 94 60.123 25.447 71.023 1.00 59.67 C ATOM 13554 O THR C 94 60.260 26.139 72.029 1.00 64.36 O ATOM 13555 N VAL C 95 59.170 24.539 70.905 1.00 55.96 N ATOM 13557 CA VAL C 95 58.299 24.281 72.036 1.00 52.71 C ATOM 13559 CB VAL C 95 56.881 24.835 71.815 1.00 49.07 C ATOM 13561 CG1 VAL C 95 56.947 26.091 71.056 1..00 53.95 C ATOM 13565 CG2 VAL C 95 56.065 23.897 71.054 1.00 47.27 C ATOM 13569 C VAL C 95 58.193 22.811 72.218 1.00 48.65 C ATOM 13570 O VAL C 95 58.321 22.079 71.264 1.00 52.66 O ATOM 13571 N ARG C 96 57.955 22.378 73.446 1.00 48.25 N ATOM 13573 CA ARG C 96 57.728 20.980 73.704 1.00 44.23 C ATOM 13575 CB ARG C 96 58.145 20.582 75.105 1.00 43.93 C ATOM 13578 CG ARG C 96 57.739 19.139 75.427 1.00 45.83 C ATOM 13581 CD ARG C 96 58.485 18.481 76.591 1.00 44.68 C ATOM 13584 NE ARG C 96 59.906 18.368 76.346 1.00 43.10 N ATOM 13586 CZ ARG C 96 60.516 17.279 75.875 1.00 44.04 C ATOM 13587 NH1 ARG C 96 59.848 16.181 75.591 1.00 32.28 N ATOM 13590 NH2 ARG C 96 61.827 17.292 75.698 1.00 50.62 N ATOM 13593 C ARG C 96 56.242 20.824 73.546 1.00 45.00 C ATOM 13594 O ARG C 96 55.491 21.695 74.008 1.00 45.85 O ATOM 13595 N ALA C 97 55.813 19.729 72.908 1.00 43.97 N ATOM 13597 CA ALA C 97 54.388 19.518 72.622 1.00 42.35 C ATOM 13599 CB ALA C 97 54.060 20.108 71.278 1.00 42.11 C ATOM 13603 C ALA C 97 53.894 18.105 72.636 1.00 40.41 C ATOM 13604 O ALA C 97 54.575 17.166 72.319 1.00 51.69 O ATOM 13605 N ASN C 98 52.651 17.957 72.994 1.00 46.04 N ATOM 13607 CA ASN C 98 52.017 16.668 72.887 1.00 44.67 C ATOM 13609 CB ASN C 98 50.544 16.823 73.230 1.00 44.47 C ATOM 13612 CG ASN C 98 50.342 17.320 74.619 1.00 44.86 C ATOM 13613 OD1 ASN C 98 50.884 16.760 75.563 1.00 46.18 O ATOM 13614 ND2 ASN C 98 49.564 18.378 74.762 1.00 48.48 N ATOM 13617 C ASN C 98 52.175 16.171 71.463 1.00 41.60 C ATOM 13618 O ASN C 98 52.201 16.957 70.538 1.00 39.27 O ATOM 13619 N ILE C 99 52.269 14.866 71.286 1.00 41.90 N ATOM 13621 CA ILE C 99 52.403 14.307 69.954 1.00 46.94 C ATOM 13623 CB ILE C 99 53.861 14.330 69.470 1.00 41.20 C ATOM 13625 CG1 ILE C 99 54.362 15.744 69.192 1.00 46.97 C ATOM 13628 CD1 ILE C 99 55.885 15.841 68.773 1.00 44.25 C ATOM 13632 CG2 ILE C 99 53.939 13.652 68.168 1.00 45.91 C ATOM 13636 C ILE C 99 51.914 12.870 69.953 1.00 47.27 C ATOM 13637 O ILE C 99 52.407 12.081 70.711 1.00 58.57 O ATOM 13638 N ALA C 100 50.944 12.554 69.116 1.00 46.89 N ATOM 13640 CA ALA C 100 50.418 11.219 68.962 1.00 46.93 C ATOM 13642 CB ALA C 100 48.949 11.274 68.540 1.00 45.92 C ATOM 13646 C ALA C 100 51.197 10.514 67.884 1.00 48.45 C ATOM 13647 O ALA C 100 51.172 10.906 66.711 1.00 45.06 O ATOM 13648 N ALA C 101 51.872 9.436 68.250 1.00 47.39 N ATOM 13650 CA ALA C 101 52.639 8.732 67.260 1.00 46.43 C ATOM 13652 CB ALA C 101 53.820 8.041 67.940 1.00 47.14 C ATOM 13656 C ALA C 101 51.690 7.749 66.604 1.00 41.79 C ATOM 13657 O ALA C 101 51.118 6.968 67.307 1.00 48.05 O ATOM 13658 N ILE C 102 51.500 7.781 65.285 1.00 42.66 N ATOM 13660 CA ILE C 102 50.507 6.878 64.635 1.00 42.52 C ATOM 13662 CB ILE C 102 49.916 7.478 63.366 1.00 37.68 C ATOM 13664 CG1 ILE C 102 49.273 8.809 63.646 1.00 42.95 C ATOM 13667 CD1 ILE C 102 49.029 9.597 62.382 1.00 48.42 C ATOM 13671 CG2 ILE C 102 48.845 6.590 62.789 1.00 42.11 C ATOM 13675 C ILE C 102 51.141 5.609 64.183 1.00 42.17 C ATOM 13676 O ILE C 102 52.146 5.671 63.469 1.00 50.97 O ATOM 13677 N THR C 103 50.529 4.493 64.581 1.00 39.36 N ATOM 13679 CA THR C 103 50.950 3.130 64.257 1.00 38.74 C ATOM 13681 CB THR C 103 51.024 2.324 65.542 1.00 31.31 C ATOM 13683 OG1 THR C 103 49.802 2.511 66.252 1.00 37.91 O ATOM 13685 CG2 THR C 103 51.988 2.821 66.443 1.00 25.93 C ATOM 13689 C THR C 103 49.936 2.306 63.434 1.00 44.91 C ATOM 13690 O THR C 103 50.222 1.153 63.067 1.00 49.83 O ATOM 13691 N GLU C 104 48.764 2.866 63.161 1.00 50.27 N ATOM 13693 CA GLU C 104 47.674 2.128 62.535 1.00 52.57 C ATOM 13695 CB GLU C 104 46.967 1.315 63.591 1.00 58.34 C ATOM 13698 CG GLU C 104 47.546 −0.048 63.935 1.00 69.41 C ATOM 13701 CD GLU C 104 46.428 −0.983 64.324 1.00 78.52 C ATOM 13702 OE1 GLU C 104 45.341 −0.435 64.642 1.00 80.85 O ATOM 13703 OE2 GLU C 104 46.629 −2.229 64.313 1.00 82.93 O ATOM 13704 C GLU C 104 46.607 3.068 62.052 1.00 48.07 C ATOM 13705 O GLU C 104 46.134 3.888 62.835 1.00 35.83 O ATOM 13706 N SER C 105 46.185 2.970 60.800 1.00 49.78 N ATOM 13708 CA SER C 105 45.155 3.896 60.329 1.00 51.92 C ATOM 13710 CB SER C 105 45.802 5.173 59.821 1.00 48.19 C ATOM 13713 OG SER C 105 46.446 4.896 58.587 1.00 50.41 O ATOM 13715 C SER C 105 44.336 3.307 59.195 1.00 53.97 C ATOM 13716 O SER C 105 44.748 2.324 58.583 1.00 54.52 O ATOM 13717 N ASP C 106 43.190 3.933 58.931 1.00 48.85 N ATOM 13719 CA ASP C 106 42.327 3.568 57.825 1.00 54.43 C ATOM 13721 CB ASP C 106 41.117 2.695 58.274 1.00 53.40 C ATOM 13724 CG ASP C 106 40.419 1.971 57.076 1.00 59.23 C ATOM 13725 OD1 ASP C 106 41.164 1.374 56.243 1.00 60.96 O ATOM 13726 OD2 ASP C 106 39.146 1.940 56.861 1.00 64.74 O ATOM 13727 C ASP C 106 41.882 4.891 57.127 1.00 53.64 C ATOM 13728 O ASP C 106 41.304 5.783 57.734 1.00 51.47 O ATOM 13729 N LYS C 107 42.204 4.992 55.848 1.00 54.37 N ATOM 13731 CA LYS C 107 41.853 6.116 54.999 1.00 51.97 C ATOM 13733 CB LYS C 107 40.405 5.986 54.532 1.00 53.57 C ATOM 13736 CG LYS C 107 39.921 4.542 54.124 1.00 55.39 C ATOM 13739 CD LYS C 107 38.335 4.466 54.249 1.00 59.86 C ATOM 13742 CE LYS C 107 37.629 3.148 53.820 1.00 61.09 C ATOM 13745 NZ LYS C 107 36.060 3.234 53.879 1.00 53.27 N ATOM 13749 C LYS C 107 42.133 7.499 55.610 1.00 50.56 C ATOM 13750 O LYS C 107 41.383 8.440 55.412 1.00 51.18 O ATOM 13751 N PHE C 108 43.223 7.613 56.350 1.00 48.34 N ATOM 13753 CA PHE C 108 43.712 8.905 56.787 1.00 47.27 C ATOM 13755 CB PHE C 108 44.540 8.748 58.031 1.00 45.62 C ATOM 13758 CG PHE C 108 44.938 10.029 58.643 1.00 37.04 C ATOM 13759 CD1 PHE C 108 43.993 10.892 59.105 1.00 38.32 C ATOM 13761 CE1 PHE C 108 44.362 12.075 59.688 1.00 40.30 C ATOM 13763 CZ PHE C 108 45.663 12.392 59.804 1.00 33.49 C ATOM 13765 CE2 PHE C 108 46.603 11.535 59.347 1.00 37.53 C ATOM 13767 CD2 PHE C 108 46.237 10.357 58.770 1.00 36.71 C ATOM 13769 C PHE C 108 44.660 9.440 55.747 1.00 50.97 C ATOM 13770 O PHE C 108 44.408 10.462 55.088 1.00 53.65 O ATOM 13771 N PHE C 109 45.768 8.718 55.612 1.00 47.95 N ATOM 13773 CA PHE C 109 46.805 9.096 54.701 1.00 47.94 C ATOM 13775 CB PHE C 109 48.006 8.198 54.915 1.00 45.29 C ATOM 13778 CG PHE C 109 48.678 8.429 56.255 1.00 46.27 C ATOM 13779 CD1 PHE C 109 49.046 7.389 57.063 1.00 48.64 C ATOM 13781 CE1 PHE C 109 49.637 7.618 58.276 1.00 47.73 C ATOM 13783 CZ PHE C 109 49.873 8.893 58.689 1.00 48.46 C ATOM 13785 CE2 PHE C 109 49.518 9.933 57.901 1.00 48.66 C ATOM 13787 CD2 PHE C 109 48.922 9.707 56.698 1.00 49.42 C ATOM 13789 C PHE C 109 46.226 9.031 53.309 1.00 53.22 C ATOM 13790 O PHE C 109 45.213 8.362 53.118 1.00 60.08 O ATOM 13791 N ILE C 110 46.836 9.748 52.359 1.00 52.83 N ATOM 13793 CA ILE C 110 46.374 9.790 50.976 1.00 52.12 C ATOM 13795 CB ILE C 110 45.836 11.149 50.688 1.00 53.27 C ATOM 13797 CG1 ILE C 110 44.566 11.404 51.445 1.00 52.71 C ATOM 13800 CD1 ILE C 110 44.141 12.836 51.288 1.00 50.55 C ATOM 13804 CG2 ILE C 110 45.504 11.291 49.236 1.00 57.99 C ATOM 13808 C ILE C 110 47.519 9.590 50.019 1.00 54.78 C ATOM 13809 O ILE C 110 48.434 10.408 49.980 1.00 60.18 O ATOM 13810 N GLN C 111 47.485 8.529 49.227 1.00 58.31 N ATOM 13812 CA GLN C 111 48.617 8.239 48.348 1.00 58.73 C ATOM 13814 CB GLN C 111 48.255 7.125 47.389 1.00 61.62 C ATOM 13817 CG GLN C 111 49.245 6.964 46.243 1.00 66.55 C ATOM 13820 CD GLN C 111 48.738 5.997 45.183 1.00 67.87 C ATOM 13821 OE1 GLN C 111 49.529 5.413 44.450 1.00 66.00 O ATOM 13822 NE2 GLN C 111 47.415 5.837 45.099 1.00 65.39 N ATOM 13825 C GLN C 111 49.047 9.471 47.560 1.00 58.27 C ATOM 13826 O GLN C 111 48.222 10.128 46.924 1.00 57.77 O ATOM 13827 N GLY C 112 50.339 9.788 47.628 1.00 58.53 N ATOM 13829 CA GLY C 112 50.915 10.916 46.916 1.00 59.25 C ATOM 13832 C GLY C 112 50.726 12.291 47.540 1.00 58.52 C ATOM 13833 O GLY C 112 51.104 13.284 46.941 1.00 54.33 O ATOM 13834 N SER C 113 50.158 12.356 48.739 1.00 59.61 N ATOM 13836 CA SER C 113 49.832 13.635 49.370 1.00 59.93 C ATOM 13838 CB SER C 113 49.012 13.380 50.616 1.00 61.27 C ATOM 13841 OG SER C 113 49.791 12.666 51.583 1.00 61.67 O ATOM 13843 C SER C 113 51.044 14.401 49.826 1.00 59.74 C ATOM 13844 O SER C 113 50.970 15.560 50.136 1.00 64.41 O ATOM 13845 N ASN C 114 52.168 13.730 49.879 1.00 60.55 N ATOM 13847 CA ASN C 114 53.389 14.312 50.410 1.00 58.90 C ATOM 13849 CB ASN C 114 53.911 15.426 49.496 1.00 57.44 C ATOM 13852 CG ASN C 114 55.402 15.668 49.693 1.00 62.94 C ATOM 13853 OD1 ASN C 114 56.179 14.725 49.898 1.00 58.01 O ATOM 13854 ND2 ASN C 114 55.807 16.931 49.657 1.00 67.46 N ATOM 13857 C ASN C 114 53.420 14.734 51.918 1.00 52.44 C ATOM 13858 O ASN C 114 54.474 15.175 52.388 1.00 53.11 O ATOM 13859 N TRP C 115 52.322 14.581 52.662 1.00 48.49 N ATOM 13861 CA TRP C 115 52.311 14.866 54.131 1.00 47.90 C ATOM 13863 CB TRP C 115 51.158 15.786 54.572 1.00 44.85 C ATOM 13866 CG TRP C 115 49.757 15.522 54.098 1.00 35.78 C ATOM 13867 CD1 TRP C 115 49.177 16.027 52.986 1.00 38.12 C ATOM 13869 NE1 TRP C 115 47.879 15.592 52.868 1.00 39.72 N ATOM 13871 CE2 TRP C 115 47.596 14.785 53.936 1.00 41.98 C ATOM 13872 CD2 TRP C 115 48.762 14.723 54.734 1.00 40.24 C ATOM 13873 CE3 TRP C 115 48.733 13.947 55.898 1.00 36.07 C ATOM 13875 CZ3 TRP C 115 47.597 13.286 56.223 1.00 31.67 C ATOM 13877 CH2 TRP C 115 46.448 13.366 55.414 1.00 41.59 C ATOM 13879 CZ2 TRP C 115 46.431 14.104 54.262 1.00 37.70 C ATOM 13881 C TRP C 115 52.333 13.594 55.024 1.00 49.13 C ATOM 13882 O TRP C 115 51.893 12.529 54.610 1.00 56.05 O ATOM 13883 N GLU C 116 52.835 13.694 56.246 1.00 42.30 N ATOM 13885 CA GLU C 116 53.060 12.493 57.029 1.00 36.92 C ATOM 13887 CB GLU C 116 54.543 12.335 57.308 1.00 35.88 C ATOM 13890 CG GLU C 116 55.428 11.872 56.167 1.00 40.41 C ATOM 13893 CD GLU C 116 56.100 12.992 55.447 1.00 43.69 C ATOM 13894 OE1 GLU C 116 56.149 12.999 54.197 1.00 51.67 O ATOM 13895 OE2 GLU C 116 56.596 13.871 56.142 1.00 54.68 O ATOM 13896 C GLU C 116 52.378 12.587 58.365 1.00 42.27 C ATOM 13897 O GLU C 116 52.608 11.744 59.249 1.00 44.85 O ATOM 13898 N GLY C 117 51.547 13.609 58.518 1.00 37.85 N ATOM 13900 CA GLY C 117 50.997 13.960 59.807 1.00 33.97 C ATOM 13903 C GLY C 117 50.070 15.133 59.637 1.00 37.13 C ATOM 13904 O GLY C 117 50.056 15.846 58.625 1.00 35.82 O ATOM 13905 N ILE C 118 49.256 15.338 60.636 1.00 36.24 N ATOM 13907 CA ILE C 118 48.332 16.425 60.572 1.00 38.55 C ATOM 13909 CB ILE C 118 46.910 15.921 60.803 1.00 40.07 C ATOM 13911 CG1 ILE C 118 45.865 16.999 60.568 1.00 42.31 C ATOM 13914 CD1 ILE C 118 44.458 16.429 60.571 1.00 40.16 C ATOM 13918 CG2 ILE C 118 46.748 15.448 62.229 1.00 42.62 C ATOM 13922 C ILE C 118 48.776 17.298 61.695 1.00 41.59 C ATOM 13923 O ILE C 118 49.698 16.975 62.440 1.00 47.04 O ATOM 13924 N LEU C 119 48.111 18.419 61.807 1.00 41.76 N ATOM 13926 CA LEU C 119 48.341 19.372 62.878 1.00 39.99 C ATOM 13928 CB LEU C 119 49.449 20.360 62.540 1.00 37.22 C ATOM 13931 CG LEU C 119 49.390 21.634 63.399 1.00 38.87 C ATOM 13933 CD1 LEU C 119 49.943 21.327 64.782 1.00 34.70 C ATOM 13937 CD2 LEU C 119 50.112 22.835 62.759 1.00 43.63 C ATOM 13941 C LEU C 119 47.033 20.104 63.031 1.00 41.75 C ATOM 13942 O LEU C 119 46.576 20.773 62.106 1.00 46.22 O ATOM 13943 N GLY C 120 46.432 19.962 64.203 1.00 33.31 N ATOM 13945 CA GLY C 120 45.097 20.466 64.406 1.00 37.36 C ATOM 13948 C GLY C 120 45.145 21.751 65.149 1.00 28.62 C ATOM 13949 O GLY C 120 45.838 21.828 66.074 1.00 30.63 O ATOM 13950 N LEU C 121 44.386 22.741 64.718 1.00 38.29 N ATOM 13952 CA LEU C 121 44.536 24.088 65.191 1.00 35.55 C ATOM 13954 CB LEU C 121 44.665 24.999 63.986 1.00 35.76 C ATOM 13957 CG LEU C 121 45.979 24.905 63.170 1.00 39.55 C ATOM 13959 CD1 LEU C 121 45.900 25.748 61.887 1.00 42.96 C ATOM 13963 CD2 LEU C 121 47.199 25.390 63.947 1.00 36.86 C ATOM 13967 C LEU C 121 43.373 24.531 66.025 1.00 35.86 C ATOM 13968 O LEU C 121 43.358 25.666 66.534 1.00 40.24 O ATOM 13969 N ALA C 122 42.403 23.642 66.181 1.00 33.88 N ATOM 13971 CA ALA C 122 41.178 23.981 66.897 1.00 33.37 C ATOM 13973 CB ALA C 122 40.083 23.167 66.466 1.00 40.73 C ATOM 13977 C ALA C 122 41.352 23.814 68.338 1.00 35.35 C ATOM 13978 O ALA C 122 42.347 23.300 68.812 1.00 44.15 O ATOM 13979 N TYR C 123 40.360 24.257 69.054 1.00 49.96 N ATOM 13981 CA TYR C 123 40.496 24.353 70.490 1.00 46.80 C ATOM 13983 CB TYR C 123 39.324 25.179 71.032 1.00 45.68 C ATOM 13986 CG TYR C 123 39.338 26.623 70.537 1.00 44.89 C ATOM 13987 CD1 TYR C 123 38.505 27.065 69.501 1.00 42.26 C ATOM 13989 CE1 TYR C 123 38.537 28.386 69.072 1.00 36.64 C ATOM 13991 CZ TYR C 123 39.402 29.271 69.682 1.00 40.46 C ATOM 13992 OH TYR C 123 39.502 30.615 69.319 1.00 46.64 O ATOM 13994 CE2 TYR C 123 40.211 28.849 70.689 1.00 40.22 C ATOM 13996 CD2 TYR C 123 40.179 27.540 71.109 1.00 43.88 C ATOM 13998 C TYR C 123 40.579 22.951 71.106 1.00 48.13 C ATOM 13999 O TYR C 123 40.430 21.933 70.415 1.00 46.62 O ATOM 14000 N ALA C 124 40.821 22.927 72.405 1.00 48.35 N ATOM 14002 CA ALA C 124 40.937 21.690 73.162 1.00 51.52 C ATOM 14004 CB ALA C 124 41.622 21.999 74.493 1.00 51.80 C ATOM 14008 C ALA C 124 39.643 20.907 73.436 1.00 53.10 C ATOM 14009 O ALA C 124 39.713 19.728 73.722 1.00 58.47 O ATOM 14010 N GLU C 125 38.467 21.522 73.351 1.00 52.58 N ATOM 14012 CA GLU C 125 37.250 20.842 73.809 1.00 48.35 C ATOM 14014 CB GLU C 125 36.012 21.764 73.806 1.00 45.94 C ATOM 14017 CG GLU C 125 34.793 21.123 74.457 1.00 51.12 C ATOM 14020 CD GLU C 125 33.576 22.062 74.676 1.00 65.79 C ATOM 14021 OE1 GLU C 125 33.635 23.280 74.340 1.00 73.52 O ATOM 14022 OE2 GLU C 125 32.521 21.580 75.191 1.00 69.28 O ATOM 14023 C GLU C 125 36.979 19.597 72.997 1.00 49.63 C ATOM 14024 O GLU C 125 36.159 18.767 73.393 1.00 49.63 O ATOM 14025 N ILE C 126 37.653 19.474 71.855 1.00 47.96 N ATOM 14027 CA ILE C 126 37.477 18.324 70.969 1.00 43.11 C ATOM 14029 CB ILE C 126 36.849 18.722 69.649 1.00 37.68 C ATOM 14031 CG1 ILE C 126 37.742 19.681 68.885 1.00 42.13 C ATOM 14034 CD1 ILE C 126 37.241 19.947 67.461 1.00 45.08 C ATOM 14038 CG2 ILE C 126 35.632 19.390 69.898 1.00 39.52 C ATOM 14042 C ILE C 126 38.755 17.614 70.665 1.00 41.81 C ATOM 14043 O ILE C 126 38.815 16.848 69.708 1.00 47.30 O ATOM 14044 N ALA C 127 39.789 17.856 71.447 1.00 44.88 N ATOM 14046 CA ALA C 127 41.005 17.060 71.286 1.00 49.29 C ATOM 14048 CB ALA C 127 42.164 17.690 71.997 1.00 47.42 C ATOM 14052 C ALA C 127 40.708 15.676 71.871 1.00 53.51 C ATOM 14053 O ALA C 127 39.695 15.503 72.565 1.00 56.30 O ATOM 14054 N ARG C 128 41.570 14.700 71.591 1.00 53.29 N ATOM 14056 CA ARG C 128 41.396 13.345 72.102 1.00 50.59 C ATOM 14058 CB ARG C 128 41.159 12.348 70.949 1.00 57.97 C ATOM 14061 CG ARG C 128 39.759 12.300 70.183 1.00 59.94 C ATOM 14064 CD ARG C 128 38.475 12.155 71.017 1.00 69.66 C ATOM 14067 NE ARG C 128 37.271 12.355 70.198 1.00 76.55 N ATOM 14069 CZ ARG C 128 36.442 11.399 69.770 1.00 84.49 C ATOM 14070 NH1 ARG C 128 36.641 10.106 70.062 1.00 85.61 N ATOM 14073 NH2 ARG C 128 35.389 11.753 69.034 1.00 86.88 N ATOM 14076 C ARG C 128 42.707 13.008 72.850 1.00 50.92 C ATOM 14077 O ARG C 128 43.799 13.530 72.544 1.00 47.14 O ATOM 14078 N PRO C 129 42.662 12.150 73.847 1.00 45.26 N ATOM 14079 CA PRO C 129 41.469 11.450 74.333 1.00 42.08 C ATOM 14081 CB PRO C 129 42.028 10.478 75.365 1.00 43.25 C ATOM 14084 CG PRO C 129 43.561 10.579 75.290 1.00 38.09 C ATOM 14087 CD PRO C 129 43.892 11.844 74.590 1.00 35.38 C ATOM 14090 C PRO C 129 40.487 12.337 75.054 1.00 49.15 C ATOM 14091 O PRO C 129 39.322 11.949 75.129 1.00 58.20 O ATOM 14092 N ASP C 130 40.919 13.483 75.578 1.00 52.35 N ATOM 14094 CA ASP C 130 40.023 14.394 76.283 1.00 55.40 C ATOM 14096 CB ASP C 130 39.774 13.858 77.664 1.00 61.87 C ATOM 14099 CG ASP C 130 41.048 13.867 78.498 1.00 70.21 C ATOM 14100 OD1 ASP C 130 41.533 12.794 78.934 1.00 73.11 O ATOM 14101 OD2 ASP C 130 41.650 14.930 78.752 1.00 74.28 O ATOM 14102 C ASP C 130 40.659 15.766 76.453 1.00 55.47 C ATOM 14103 O ASP C 130 41.857 15.911 76.312 1.00 47.00 O ATOM 14104 N ASP C 131 39.835 16.755 76.804 1.00 60.76 N ATOM 14106 CA ASP C 131 40.235 18.173 76.853 1.00 58.88 C ATOM 14108 CB ASP C 131 39.051 19.107 77.223 1.00 63.07 C ATOM 14111 CG ASP C 131 38.290 18.660 78.474 1.00 72.14 C ATOM 14112 OD1 ASP C 131 38.685 17.632 79.058 1.00 82.97 O ATOM 14113 OD2 ASP C 131 37.281 19.261 78.948 1.00 76.88 O ATOM 14114 C ASP C 131 41.415 18.554 77.696 1.00 52.31 C ATOM 14115 O ASP C 131 41.698 19.728 77.795 1.00 60.98 O ATOM 14116 N SER C 132 42.116 17.620 78.304 1.00 47.46 N ATOM 14118 CA SER C 132 43.311 17.999 79.054 1.00 45.98 C ATOM 14120 CB SER C 132 43.450 17.206 80.331 1.00 46.66 C ATOM 14123 OG SER C 132 42.859 15.924 80.195 1.00 49.20 O ATOM 14125 C SER C 132 44.574 17.843 78.218 1.00 47.95 C ATOM 14126 O SER C 132 45.649 18.235 78.650 1.00 52.86 O ATOM 14127 N LEU C 133 44.449 17.292 77.015 1.00 48.67 N ATOM 14129 CA LEU C 133 45.591 17.140 76.156 1.00 47.27 C ATOM 14131 CB LEU C 133 45.366 16.031 75.159 1.00 46.70 C ATOM 14134 CG LEU C 133 46.663 15.841 74.400 1.00 48.65 C ATOM 14136 CD1 LEU C 133 47.713 15.384 75.385 1.00 48.76 C ATOM 14140 CD2 LEU C 133 46.539 14.900 73.213 1.00 50.53 C ATOM 14144 C LEU C 133 45.821 18.432 75.416 1.00 50.94 C ATOM 14145 O LEU C 133 45.405 18.612 74.271 1.00 58.31 O ATOM 14146 N GLU C 134 46.478 19.354 76.071 1.00 51.70 N ATOM 14148 CA GLU C 134 46.764 20.626 75.441 1.00 56.18 C ATOM 14150 CB GLU C 134 47.967 21.258 76.166 1.00 56.39 C ATOM 14153 CG GLU C 134 48.225 22.746 75.938 1.00 59.32 C ATOM 14156 CD GLU C 134 49.438 23.242 76.750 1.00 65.65 C ATOM 14157 OE1 GLU C 134 49.225 23.685 77.918 1.00 66.55 O ATOM 14158 OE2 GLU C 134 50.605 23.183 76.240 1.00 53.92 O ATOM 14159 C GLU C 134 47.099 20.439 73.944 1.00 55.09 C ATOM 14160 O GLU C 134 47.972 19.634 73.636 1.00 51.08 O ATOM 14161 N PRO C 135 46.399 21.161 73.042 1.00 52.45 N ATOM 14162 CA PRO C 135 46.789 21.308 71.624 1.00 47.35 C ATOM 14164 CB PRO C 135 45.590 22.018 71.001 1.00 44.20 C ATOM 14167 CG PRO C 135 44.524 21.918 71.952 1.00 43.96 C ATOM 14170 CD PRO C 135 45.135 21.861 73.310 1.00 48.87 C ATOM 14173 C PRO C 135 48.011 22.197 71.412 1.00 45.97 C ATOM 14174 O PRO C 135 48.341 23.014 72.238 1.00 57.63 O ATOM 14175 N PHE C 136 48.665 22.030 70.271 1.00 49.91 N ATOM 14177 CA PHE C 136 49.918 22.693 69.912 1.00 41.68 C ATOM 14179 CB PHE C 136 50.230 22.292 68.497 1.00 41.45 C ATOM 14182 CG PHE C 136 51.358 23.034 67.882 1.00 41.29 C ATOM 14183 CD1 PHE C 136 52.621 22.527 67.912 1.00 37.45 C ATOM 14185 CE1 PHE C 136 53.646 23.172 67.368 1.00 39.54 C ATOM 14187 CZ PHE C 136 53.450 24.324 66.769 1.00 46.69 C ATOM 14189 CE2 PHE C 136 52.202 24.861 66.706 1.00 47.06 C ATOM 14191 CD2 PHE C 136 51.152 24.216 67.266 1.00 44.15 C ATOM 14193 C PHE C 136 49.917 24.200 69.976 1.00 48.49 C ATOM 14194 O PHE C 136 50.837 24.807 70.537 1.00 57.13 O ATOM 14195 N PHE C 137 48.902 24.838 69.403 1.00 50.04 N ATOM 14197 CA PHE C 137 48.879 26.300 69.407 1.00 42.38 C ATOM 14199 CB PHE C 137 47.751 26.868 68.559 1.00 43.63 C ATOM 14202 CG PHE C 137 48.105 28.174 67.943 1.00 44.76 C ATOM 14203 CD1 PHE C 137 48.912 28.224 66.849 1.00 48.03 C ATOM 14205 CE1 PHE C 137 49.260 29.420 66.290 1.00 46.54 C ATOM 14207 CZ PHE C 137 48.814 30.560 66.820 1.00 44.20 C ATOM 14209 CE2 PHE C 137 48.001 30.536 67.920 1.00 43.29 C ATOM 14211 CD2 PHE C 137 47.648 29.358 68.474 1.00 48.04 C ATOM 14213 C PHE C 137 48.782 26.775 70.830 1.00 45.85 C ATOM 14214 O PHE C 137 49.389 27.784 71.210 1.00 43.40 O ATOM 14215 N ASP C 138 48.034 26.044 71.651 1.00 46.65 N ATOM 14217 CA ASP C 138 47.918 26.481 73.024 1.00 48.49 C ATOM 14219 CB ASP C 138 47.010 25.594 73.849 1.00 50.42 C ATOM 14222 CG ASP C 138 45.550 25.771 73.523 1.00 56.72 C ATOM 14223 OD1 ASP C 138 44.771 26.066 74.459 1.00 57.59 O ATOM 14224 OD2 ASP C 138 45.080 25.619 72.372 1.00 63.56 O ATOM 14225 C ASP C 138 49.321 26.472 73.611 1.00 49.79 C ATOM 14226 O ASP C 138 49.664 27.377 74.366 1.00 50.18 O ATOM 14227 N SER C 139 50.117 25.459 73.256 1.00 45.66 N ATOM 14229 CA SER C 139 51.454 25.288 73.832 1.00 45.55 C ATOM 14231 CB SER C 139 52.080 23.926 73.462 1.00 42.34 C ATOM 14234 OG SER C 139 51.244 22.831 73.802 1.00 38.35 O ATOM 14236 C SER C 139 52.359 26.358 73.325 1.00 45.80 C ATOM 14237 O SER C 139 53.036 27.041 74.081 1.00 47.40 O ATOM 14238 N LEU C 140 52.370 26.489 72.015 1.00 48.74 N ATOM 14240 CA LEU C 140 53.222 27.467 71.365 1.00 50.72 C ATOM 14242 CB LEU C 140 52.847 27.531 69.883 1.00 48.34 C ATOM 14245 CG LEU C 140 53.654 28.505 69.064 1.00 46.32 C ATOM 14247 CD1 LEU C 140 55.129 28.109 69.092 1.00 49.60 C ATOM 14251 CD2 LEU C 140 53.172 28.519 67.687 1.00 46.89 C ATOM 14255 C LEU C 140 53.041 28.841 72.010 1.00 51.24 C ATOM 14256 O LEU C 140 53.989 29.558 72.257 1.00 55.86 O ATOM 14257 N VAL C 141 51.801 29.205 72.274 1.00 53.08 N ATOM 14259 CA VAL C 141 51.509 30.479 72.881 1.00 50.16 C ATOM 14261 CB VAL C 141 50.019 30.804 72.750 1.00 51.99 C ATOM 14263 CG1 VAL C 141 49.547 31.794 73.812 1.00 48.59 C ATOM 14267 CG2 VAL C 141 49.751 31.368 71.362 1.00 55.31 C ATOM 14271 C VAL C 141 51.899 30.512 74.324 1.00 52.53 C ATOM 14272 O VAL C 141 52.264 31.575 74.817 1.00 56.14 O ATOM 14273 N LYS C 142 51.828 29.375 75.019 1.00 54.25 N ATOM 14275 CA LYS C 142 52.179 29.360 76.439 1.00 54.82 C ATOM 14277 CB LYS C 142 51.575 28.156 77.211 1.00 59.67 C ATOM 14280 CG LYS C 142 50.151 28.411 77.893 1.00 63.35 C ATOM 14283 CD LYS C 142 49.565 27.179 78.677 1.00 63.97 C ATOM 14286 CE LYS C 142 48.278 27.516 79.548 1.00 68.51 C ATOM 14289 NZ LYS C 142 46.914 27.549 78.885 1.00 62.76 N ATOM 14293 C LYS C 142 53.692 29.426 76.618 1.00 56.79 C ATOM 14294 O LYS C 142 54.145 30.121 77.516 1.00 63.76 O ATOM 14295 N GLN C 143 54.476 28.760 75.759 1.00 53.91 N ATOM 14297 CA GLN C 143 55.943 28.662 75.943 1.00 47.91 C ATOM 14299 CB GLN C 143 56.473 27.279 75.515 1.00 45.64 C ATOM 14302 CG GLN C 143 55.935 26.091 76.354 1.00 47.12 C ATOM 14305 CD GLN C 143 56.055 24.720 75.636 1.00 51.24 C ATOM 14306 OE1 GLN C 143 57.100 24.396 75.047 1.00 54.46 O ATOM 14307 NE2 GLN C 143 54.990 23.927 75.695 1.00 34.83 N ATOM 14310 C GLN C 143 56.776 29.709 75.243 1.00 49.87 C ATOM 14311 O GLN C 143 58.000 29.605 75.260 1.00 56.15 O ATOM 14312 N THR C 144 56.162 30.720 74.638 1.00 53.26 N ATOM 14314 CA THR C 144 56.945 31.754 73.943 1.00 54.99 C ATOM 14316 CB THR C 144 57.314 31.208 72.592 1.00 55.67 C ATOM 14318 OG1 THR C 144 56.128 30.775 71.926 1.00 57.59 O ATOM 14320 CG2 THR C 144 58.014 29.924 72.739 1.00 56.90 C ATOM 14324 C THR C 144 56.173 33.090 73.808 1.00 57.45 C ATOM 14325 O THR C 144 55.095 33.229 74.379 1.00 57.38 O ATOM 14326 N HIS C 145 56.689 34.072 73.066 1.00 57.24 N ATOM 14328 CA HIS C 145 55.993 35.367 72.997 1.00 59.37 C ATOM 14330 CB HIS C 145 56.995 36.521 73.119 1.00 62.64 C ATOM 14333 CG HIS C 145 57.622 36.612 74.472 1.00 63.89 C ATOM 14334 ND1 HIS C 145 58.854 36.068 74.757 1.00 61.12 N ATOM 14336 CE1 HIS C 145 59.142 36.279 76.028 1.00 63.96 C ATOM 14338 NE2 HIS C 145 58.142 36.947 76.574 1.00 67.84 N ATOM 14340 CD2 HIS C 145 57.177 37.168 75.623 1.00 66.24 C ATOM 14342 C HIS C 145 55.106 35.584 71.768 1.00 60.03 C ATOM 14343 O HIS C 145 54.617 36.702 71.531 1.00 61.56 O ATOM 14344 N VAL C 146 54.894 34.527 70.992 1.00 55.68 N ATOM 14346 CA VAL C 146 54.037 34.612 69.813 1.00 52.16 C ATOM 14348 CB VAL C 146 54.067 33.241 69.003 1.00 53.83 C ATOM 14350 CG1 VAL C 146 52.899 33.085 68.012 1.00 49.94 C ATOM 14354 CG2 VAL C 146 55.398 33.083 68.271 1.00 49.83 C ATOM 14358 C VAL C 146 52.625 34.956 70.245 1.00 41.58 C ATOM 14359 O VAL C 146 52.071 34.277 71.047 1.00 45.36 O ATOM 14360 N PRO C 147 52.072 36.026 69.721 1.00 38.73 N ATOM 14361 CA PRO C 147 50.672 36.434 69.934 1.00 44.65 C ATOM 14363 CB PRO C 147 50.485 37.592 68.946 1.00 47.94 C ATOM 14366 CG PRO C 147 51.856 38.095 68.590 1.00 46.22 C ATOM 14369 CD PRO C 147 52.799 36.961 68.863 1.00 48.16 C ATOM 14372 C PRO C 147 49.667 35.353 69.590 1.00 43.63 C ATOM 14373 O PRO C 147 49.987 34.428 68.854 1.00 49.34 O ATOM 14374 N ASN C 148 48.446 35.451 70.075 1.00 44.57 N ATOM 14376 CA ASN C 148 47.568 34.263 69.982 1.00 43.03 C ATOM 14378 CB ASN C 148 46.660 34.109 71.201 1.00 38.71 C ATOM 14381 CG ASN C 148 46.009 32.750 71.245 1.00 40.63 C ATOM 14382 OD1 ASN C 148 46.577 31.792 70.748 1.00 45.67 O ATOM 14383 ND2 ASN C 148 44.812 32.656 71.820 1.00 35.19 N ATOM 14386 C ASN C 148 46.739 34.377 68.792 1.00 44.54 C ATOM 14387 O ASN C 148 45.575 34.746 68.884 1.00 47.35 O ATOM 14388 N LEU C 149 47.324 34.076 67.649 1.00 47.80 N ATOM 14390 CA LEU C 149 46.625 34.355 66.423 1.00 46.06 C ATOM 14392 CB LEU C 149 46.483 35.861 66.342 1.00 45.20 C ATOM 14395 CG LEU C 149 46.167 36.389 64.967 1.00 50.04 C ATOM 14397 CD1 LEU C 149 45.789 37.837 65.045 1.00 50.52 C ATOM 14401 CD2 LEU C 149 47.368 36.220 64.121 1.00 54.10 C ATOM 14405 C LEU C 149 47.370 33.856 65.209 1.00 45.78 C ATOM 14406 O LEU C 149 48.588 34.024 65.101 1.00 48.36 O ATOM 14407 N PHE C 150 46.639 33.241 64.289 1.00 42.18 N ATOM 14409 CA PHE C 150 47.225 32.795 63.036 1.00 42.43 C ATOM 14411 CB PHE C 150 47.534 31.231 62.984 1.00 40.98 C ATOM 14414 CG PHE C 150 46.314 30.306 63.059 1.00 41.37 C ATOM 14415 CD1 PHE C 150 45.783 29.924 64.283 1.00 46.98 C ATOM 14417 CE1 PHE C 150 44.679 29.090 64.352 1.00 40.05 C ATOM 14419 CZ PHE C 150 44.101 28.628 63.198 1.00 39.23 C ATOM 14421 CE2 PHE C 150 44.615 28.977 61.978 1.00 32.22 C ATOM 14423 CD2 PHE C 150 45.719 29.814 61.905 1.00 32.36 C ATOM 14425 C PHE C 150 46.286 33.330 61.950 1.00 43.38 C ATOM 14426 O PHE C 150 45.167 33.745 62.233 1.00 48.71 O ATOM 14427 N SER C 151 46.759 33.329 60.720 1.00 43.07 N ATOM 14429 CA SER C 151 45.981 33.763 59.606 1.00 37.49 C ATOM 14431 CB SER C 151 46.225 35.259 59.423 1.00 44.33 C ATOM 14434 OG SER C 151 47.595 35.588 59.289 1.00 42.06 O ATOM 14436 C SER C 151 46.397 32.934 58.389 1.00 38.78 C ATOM 14437 O SER C 151 47.577 32.606 58.234 1.00 36.44 O ATOM 14438 N LEU C 152 45.452 32.580 57.516 1.00 41.13 N ATOM 14440 CA LEU C 152 45.758 31.690 56.363 1.00 40.11 C ATOM 14442 CB LEU C 152 45.085 30.324 56.518 1.00 35.95 C ATOM 14445 CG LEU C 152 45.415 29.520 57.772 1.00 36.57 C ATOM 14447 CD1 LEU C 152 44.398 28.489 58.070 1.00 35.32 C ATOM 14451 CD2 LEU C 152 46.772 28.820 57.620 1.00 44.22 C ATOM 14455 C LEU C 152 45.330 32.288 55.023 1.00 41.15 C ATOM 14456 O LEU C 152 44.319 32.983 54.936 1.00 46.18 O ATOM 14457 N GLN C 153 46.133 32.001 54.003 1.00 40.76 N ATOM 14459 CA GLN C 153 45.914 32.418 52.632 1.00 36.05 C ATOM 14461 CB GLN C 153 46.847 33.554 52.203 1.00 39.58 C ATOM 14464 CG GLN C 153 46.387 34.255 50.905 1.00 46.24 C ATOM 14467 CD GLN C 153 47.443 35.042 50.160 1.00 49.21 C ATOM 14468 OE1 GLN C 153 48.484 34.518 49.827 1.00 61.46 O ATOM 14469 NE2 GLN C 153 47.155 36.304 49.870 1.00 57.83 N ATOM 14472 C GLN C 153 46.244 31.195 51.809 1.00 34.15 C ATOM 14473 O GLN C 153 47.396 30.910 51.599 1.00 34.22 O ATOM 14474 N LEU C 154 45.219 30.487 51.348 1.00 36.48 N ATOM 14476 CA LEU C 154 45.351 29.289 50.558 1.00 34.16 C ATOM 14478 CB LEU C 154 44.251 28.339 50.981 1.00 35.94 C ATOM 14481 CG LEU C 154 44.128 27.928 52.434 1.00 28.19 C ATOM 14483 CD1 LEU C 154 43.246 26.789 52.499 1.00 34.51 C ATOM 14487 CD2 LEU C 154 45.441 27.455 52.858 1.00 41.55 C ATOM 14491 C LEU C 154 45.144 29.591 49.075 1.00 41.40 C ATOM 14492 O LEU C 154 44.050 29.970 48.695 1.00 47.72 O ATOM 14493 N CYS C 155 46.150 29.419 48.214 1.00 49.18 N ATOM 14495 CA CYS C 155 45.953 29.761 46.804 1.00 56.83 C ATOM 14497 CB CYS C 155 47.143 30.559 46.285 1.00 59.70 C ATOM 14500 SG CYS C 155 47.453 32.045 47.258 1.00 65.72 S ATOM 14501 C CYS C 155 45.685 28.565 45.895 1.00 59.52 C ATOM 14502 O CYS C 155 46.576 27.824 45.515 1.00 59.33 O ATOM 14503 N GLY C 156 44.433 28.358 45.538 1.00 66.70 N ATOM 14505 CA GLY C 156 44.157 27.304 44.582 1.00 69.05 C ATOM 14508 C GLY C 156 44.971 27.693 43.359 1.00 71.96 C ATOM 14509 O GLY C 156 45.119 28.899 43.050 1.00 71.30 O ATOM 14510 N ALA C 157 45.508 26.710 42.655 1.00 71.91 N ATOM 14512 CA ALA C 157 46.331 27.044 41.517 1.00 75.82 C ATOM 14514 CB ALA C 157 47.022 25.831 40.962 1.00 75.63 C ATOM 14518 C ALA C 157 45.458 27.645 40.467 1.00 79.16 C ATOM 14519 O ALA C 157 45.896 28.525 39.731 1.00 85.18 O ATOM 14520 N GLY C 158 44.215 27.185 40.402 1.00 81.03 N ATOM 14522 CA GLY C 158 43.361 27.576 39.309 1.00 82.68 C ATOM 14525 C GLY C 158 43.851 26.802 38.095 1.00 86.22 C ATOM 14526 O GLY C 158 43.962 27.338 36.995 1.00 88.16 O ATOM 14527 N PHE C 159 44.180 25.537 38.355 1.00 89.75 N ATOM 14529 CA PHE C 159 44.445 24.472 37.374 1.00 92.50 C ATOM 14531 CB PHE C 159 45.328 24.878 36.180 1.00 92.91 C ATOM 14534 CG PHE C 159 46.710 25.287 36.552 1.00 92.61 C ATOM 14535 CD1 PHE C 159 46.993 26.621 36.810 1.00 92.40 C ATOM 14537 CE1 PHE C 159 48.259 27.023 37.155 1.00 93.74 C ATOM 14539 CZ PHE C 159 49.284 26.084 37.244 1.00 96.27 C ATOM 14541 CE2 PHE C 159 49.017 24.741 36.984 1.00 95.81 C ATOM 14543 CD2 PHE C 159 47.728 24.349 36.637 1.00 93.97 C ATOM 14545 C PHE C 159 45.035 23.300 38.180 1.00 94.38 C ATOM 14546 O PHE C 159 45.615 23.503 39.255 1.00 93.80 O ATOM 14547 N PRO C 160 44.868 22.076 37.689 1.00 95.18 N ATOM 14548 CA PRO C 160 45.344 20.917 38.441 1.00 96.99 C ATOM 14550 CB PRO C 160 44.632 19.747 37.789 1.00 95.07 C ATOM 14553 CG PRO C 160 44.282 20.215 36.425 1.00 96.10 C ATOM 14556 CD PRO C 160 44.225 21.697 36.420 1.00 94.57 C ATOM 14559 C PRO C 160 46.848 20.733 38.357 1.00 101.28 C ATOM 14560 O PRO C 160 47.540 21.320 37.505 1.00 104.32 O ATOM 14561 N LEU C 161 47.336 19.898 39.267 1.00 100.82 N ATOM 14563 CA LEU C 161 48.746 19.635 39.405 1.00 99.81 C ATOM 14565 CB LEU C 161 49.268 20.480 40.590 1.00 100.38 C ATOM 14568 CG LEU C 161 48.819 21.960 40.588 1.00 99.66 C ATOM 14570 CD1 LEU C 161 48.883 22.650 41.957 1.00 99.34 C ATOM 14574 CD2 LEU C 161 49.626 22.753 39.569 1.00 100.10 C ATOM 14578 C LEU C 161 48.937 18.131 39.659 1.90 98.91 C ATOM 14579 O LEU C 161 47.989 17.432 40.017 1.00 98.25 O ATOM 14580 N GLN C 162 50.146 17.628 39.438 1.00 97.30 N ATOM 14582 CA GLN C 162 50.499 16.289 39.903 1.00 98.52 C ATOM 14584 CB GLN C 162 51.168 15.442 38.827 1.00 97.42 C ATOM 14587 CG GLN C 162 50.212 14.825 37.822 1.00 98.06 C ATOM 14590 CD GLN C 162 50.951 14.249 36.621 1.00 96.41 C ATOM 14591 OE1 GLN C 162 50.338 13.886 35.623 1.00 92.89 O ATOM 14592 NE2 GLN C 162 52.277 14.173 36.721 1.00 95.15 N ATOM 14595 C GLN C 162 51.457 16.426 41.087 1.00 98.47 C ATOM 14596 O GLN C 162 52.087 17.468 41.294 1.00 97.73 O ATOM 14597 N GLN C 163 51.559 15.352 41.853 1.00 97.05 N ATOM 14599 CA GLN C 163 52.407 15.302 43.033 1.00 96.01 C ATOM 14601 CB GLN C 163 52.669 13.818 43.343 1.00 95.60 C ATOM 14604 CG GLN C 163 54.092 13.337 43.578 1.00 95.45 C ATOM 14607 CD GLN C 163 54.107 11.824 43.872 1.00 94.18 C ATOM 14608 OE1 GLN C 163 54.023 11.003 42.956 1.00 91.93 O ATOM 14609 NE2 GLN C 163 54.188 11.466 45.149 1.00 93.72 N ATOM 14612 C GLN C 163 53.681 16.191 42.973 1.00 95.28 C ATOM 14613 O GLN C 163 53.880 17.037 43.854 1.00 95.34 O ATOM 14614 N SER C 164 54.528 16.041 41.956 1.00 93.34 N ATOM 14616 CA SER C 164 55.762 16.838 41.910 1.00 93.19 C ATOM 14618 CB SER C 164 56.730 16.336 40.832 1.00 92.70 C ATOM 14621 OG SER C 164 57.775 15.565 41.411 1.00 87.37 O ATOM 14623 C SER C 164 55.478 18.324 41.720 1.00 94.82 C ATOM 14624 O SER C 164 56.259 19.174 42.150 1.00 95.13 O ATOM 14625 N GLU C 165 54.359 18.628 41.072 1.00 98.53 N ATOM 14627 CA GLU C 165 53.948 20.013 40.853 1.00 99.60 C ATOM 14629 CB GLU C 165 52.680 20.077 39.996 1.00 98.79 C ATOM 14632 CG GLU C 165 52.859 19.545 38.582 1.00 98.44 C ATOM 14635 CD GLU C 165 51.602 19.706 37.754 1.00 99.73 C ATOM 14636 OE1 GLU C 165 51.122 20.853 37.657 1.00 100.81 O ATOM 14637 OE2 GLU C 165 51.086 18.693 37.213 1.00 99.63 O ATOM 14638 C GLU C 165 53.728 20.700 42.197 1.00 100.08 C ATOM 14639 O GLU C 165 54.080 21.873 42.375 1.00 100.95 O ATOM 14640 N VAL C 166 53.143 19.958 43.136 1.00 100.04 N ATOM 14642 CA VAL C 166 52.950 20.446 44.504 1.00 99.34 C ATOM 14644 CB VAL C 166 52.142 19.435 45.372 1.00 98.17 C ATOM 14646 CG1 VAL C 166 52.900 19.049 46.665 1.00 95.99 C ATOM 14650 CG2 VAL C 166 50.743 19.987 45.665 1.00 93.72 C ATOM 14654 C VAL C 166 54.307 20.701 45.142 1.00 100.09 C ATOM 14655 O VAL C 166 54.503 21.667 45.882 1.00 100.64 O ATOM 14656 N LEU C 167 55.258 19.829 44.855 1.00 99.30 N ATOM 14658 CA LEU C 167 56.547 20.023 45.434 1.00 97.76 C ATOM 14660 CB LEU C 167 57.558 18.968 44.958 1.00 98.11 C ATOM 14663 CG LEU C 167 57.227 17.539 45.438 1.00 99.43 C ATOM 14665 CD1 LEU C 167 58.481 16.676 45.639 1.00 97.68 C ATOM 14669 CD2 LEU C 167 56.393 17.554 46.730 1.00 97.95 C ATOM 14673 C LEU C 167 56.977 21.424 45.079 1.00 96.62 C ATOM 14674 O LEU C 167 57.027 22.301 45.938 1.00 97.39 O ATOM 14675 N ALA C 168 57.253 21.650 43.805 1.00 94.46 N ATOM 14677 CA ALA C 168 57.889 22.898 43.403 1.00 92.65 C ATOM 14679 CB ALA C 168 58.323 22.800 41.943 1.00 92.92 C ATOM 14683 C ALA C 168 57.082 24.191 43.654 1.00 91.29 C ATOM 14684 O ALA C 168 57.666 25.209 44.025 1.00 89.06 O ATOM 14685 N SER C 169 55.761 24.159 43.471 1.00 89.36 N ATOM 14687 CA SER C 169 54.960 25.382 43.593 1.00 89.32 C ATOM 14689 CB SER C 169 53.669 25.298 42.757 1.00 89.95 C ATOM 14692 OG SER C 169 53.966 25.200 41.370 1.00 87.54 O ATOM 14694 C SER C 169 54.652 25.754 45.046 1.00 87.23 C ATOM 14695 O SER C 169 54.933 24.993 45.958 1.00 85.58 O ATOM 14696 N VAL C 170 54.078 26.946 45.217 1.00 86.76 N ATOM 14698 CA VAL C 170 53.776 27.562 46.512 1.00 83.54 C ATOM 14700 CB VAL C 170 54.404 28.964 46.601 1.00 84.64 C ATOM 14702 CG1 VAL C 170 53.931 29.684 47.870 1.00 84.38 C ATOM 14706 CG2 VAL C 170 55.930 28.892 46.502 1.00 85.18 C ATOM 14710 C VAL C 170 52.291 27.812 46.572 1.00 79.04 C ATOM 14711 O VAL C 170 51.788 28.676 45.840 1.00 81.45 O ATOM 14712 N GLY C 171 51.583 27.102 47.443 1.00 71.56 N ATOM 14714 CA GLY C 171 50.128 27.173 47.448 1.00 64.22 C ATOM 14717 C GLY C 171 49.495 27.867 48.630 1.00 54.08 C ATOM 14718 O GLY C 171 48.314 27.778 48.813 1.00 54.31 O ATOM 14719 N GLY C 172 50.254 28.553 49.450 1.00 45.40 N ATOM 14721 CA GLY C 172 49.596 29.320 50.492 1.00 44.40 C ATOM 14724 C GLY C 172 50.491 29.789 51.617 1.00 39.50 C ATOM 14725 O GLY C 172 51.682 29.496 51.654 1.00 42.06 O ATOM 14726 N SER C 173 49.917 30.513 52.555 1.00 33.35 N ATOM 14728 CA SER C 173 50.723 30.976 53.651 1.00 39.63 C ATOM 14730 CB SER C 173 51.106 32.475 53.530 1.00 36.22 C ATOM 14733 OG SER C 173 51.885 32.763 52.392 1.00 39.70 O ATOM 14735 C SER C 173 50.007 30.807 54.936 1.00 39.12 C ATOM 14736 O SER C 173 48.860 31.214 55.043 1.00 45.16 O ATOM 14737 N MET C 174 50.713 30.220 55.900 1.00 41.12 N ATOM 14739 CA MET C 174 50.303 30.226 57.291 1.00 44.55 C ATOM 14741 CB MET C 174 50.469 28.856 57.929 1.00 45.29 C ATOM 14744 CG MET C 174 49.569 28.713 59.111 1.00 49.87 C ATOM 14747 SD MET C 174 50.002 27.521 60.286 1.00 54.93 S ATOM 14748 CE MET C 174 51.580 27.087 59.828 1.00 51.63 C ATOM 14752 C MET C 174 51.198 31.220 58.045 1.00 43.36 C ATOM 14753 O MET C 174 52.395 30.963 58.243 1.00 46.43 O ATOM 14754 N ILE C 175 50.621 32.339 58.460 1.00 41.87 N ATOM 14756 CA ILE C 175 51.342 33.356 59.222 1.00 41.16 C ATOM 14758 CB ILE C 175 50.853 34.763 58.898 1.00 33.28 C ATOM 14760 CG1 ILE C 175 50.662 34.909 57.409 1.00 34.50 C ATOM 14763 CD1 ILE C 175 51.930 35.029 56.688 1.00 31.57 C ATOM 14767 CG2 ILE C 175 51.848 35.783 59.266 1.00 26.95 C ATOM 14771 C ILE C 175 51.052 33.050 60.683 1.00 47.92 C ATOM 14772 O ILE C 175 49.912 33.241 61.145 1.00 45.68 O ATOM 14773 N ILE C 176 52.066 32.530 61.386 1.00 46.95 N ATOM 14775 CA ILE C 176 51.953 32.289 62.810 1.00 46.06 C ATOM 14777 CB ILE C 176 52.958 31.333 63.304 1.00 49.65 C ATOM 14779 CG1 ILE C 176 52.844 30.056 62.508 1.00 49.91 C ATOM 14782 CD1 ILE C 176 51.673 29.189 62.918 1.00 54.20 C ATOM 14786 CG2 ILE C 176 52.730 31.133 64.803 1.00 50.08 C ATOM 14790 C ILE C 176 52.294 33.603 63.475 1.00 48.42 C ATOM 14791 O ILE C 176 53.364 34.165 63.256 1.00 47.56 O ATOM 14792 N GLY C 177 51.388 34.085 64.296 1.00 51.03 N ATOM 14794 CA GLY C 177 51.639 35.267 65.073 1.00 49.29 C ATOM 14797 C GLY C 177 51.067 36.536 64.513 1.00 49.22 C ATOM 14798 O GLY C 177 51.328 37.590 65.060 1.00 50.25 O ATOM 14799 N GLY C 178 50.297 36.517 63.436 1.00 52.12 N ATOM 14801 CA GLY C 178 49.818 37.836 63.033 1.00 50.89 C ATOM 14804 C GLY C 178 48.891 38.108 61.873 1.00 48.10 C ATOM 14805 O GLY C 178 47.903 37.436 61.665 1.00 59.40 O ATOM 14806 N ILE C 179 49.206 39.172 61.138 1.00 44.57 N ATOM 14808 CA ILE C 179 48.455 39.544 59.927 1.00 44.27 C ATOM 14810 CB ILE C 179 47.304 40.507 60.254 1.00 39.02 C ATOM 14812 CG1 ILE C 179 46.428 39.947 61.351 1.00 36.52 C ATOM 14815 CD1 ILE C 179 45.118 40.632 61.461 1.00 43.02 C ATOM 14819 CG2 ILE C 179 46.476 40.788 59.032 1.00 32.12 C ATOM 14823 C ILE C 179 49.370 40.148 58.825 1.00 43.98 C ATOM 14824 O ILE C 179 49.928 41.199 59.007 1.00 48.65 O ATOM 14825 N ASP C 180 49.510 39.482 57.681 1.00 42.18 N ATOM 14827 CA ASP C 180 50.325 40.046 56.639 1.00 39.96 C ATOM 14829 CB ASP C 180 51.142 38.993 55.913 1.00 35.38 C ATOM 14832 CG ASP C 180 52.216 39.643 55.073 1.00 43.62 C ATOM 14833 OD1 ASP C 180 53.415 39.527 55.436 1.00 41.41 O ATOM 14834 OD2 ASP C 180 51.932 40.337 54.049 1.00 50.13 O ATOM 14835 C ASP C 180 49.596 40.945 55.639 1.00 37.85 C ATOM 14836 O ASP C 180 48.805 40.506 54.799 1.00 48.70 O ATOM 14837 N HIS C 181 49.887 42.219 55.721 1.00 40.62 N ATOM 14839 CA HIS C 181 49.259 43.224 54.859 1.00 39.93 C ATOM 14841 CB HIS C 181 49.838 44.602 55.142 1.00 42.24 C ATOM 14844 CG HIS C 181 48.853 45.720 55.038 1.00 52.30 C ATOM 14845 ND1 HIS C 181 47.791 45.856 55.906 1.00 62.73 N ATOM 14847 CE1 HIS C 181 47.100 46.939 55.586 1.00 64.35 C ATOM 14849 NE2 HIS C 181 47.681 47.515 54.550 1.00 57.25 N ATOM 14851 CD2 HIS C 181 48.779 46.772 54.188 1.00 53.26 C ATOM 14853 C HIS C 181 49.505 42.975 53.416 1.00 36.05 C ATOM 14854 O HIS C 181 48.850 43.585 52.631 1.00 39.99 O ATOM 14855 N SER C 182 50.433 42.117 53.008 1.00 32.07 N ATOM 14857 CA SER C 182 50.575 41.978 51.568 1.00 31.16 C ATOM 14859 CB SER C 182 51.990 41.690 51.146 1.00 28.15 C ATOM 14862 OG SER C 182 52.281 40.358 51.488 1.00 36.39 O ATOM 14864 C SER C 182 49.735 40.850 51.087 1.00 36.53 C ATOM 14865 O SER C 182 49.785 40.488 49.903 1.00 33.95 O ATOM 14866 N LEU C 183 48.945 40.264 51.970 1.00 36.48 N ATOM 14868 CA LEU C 183 48.242 39.094 51.515 1.00 36.94 C ATOM 14870 CB LEU C 183 48.284 38.048 52.585 1.00 35.90 C ATOM 14873 CG LEU C 183 49.701 37.713 52.907 1.00 36.59 C ATOM 14875 CD1 LEU C 183 49.617 36.793 54.059 1.00 44.02 C ATOM 14879 CD2 LEU C 183 50.418 37.076 51.761 1.00 37.13 C ATOM 14883 C LEU C 183 46.834 39.379 51.089 1.00 36.63 C ATOM 14884 O LEU C 183 46.152 38.513 50.512 1.00 37.72 O ATOM 14885 N TYR C 184 46.383 40.589 51.347 1.00 39.63 N ATOM 14887 CA TYR C 184 45.003 40.926 50.997 1.00 41.01 C ATOM 14889 CB TYR C 184 44.136 40.845 52.263 1.00 34.47 C ATOM 14892 CG TYR C 184 44.423 41.814 53.399 1.00 30.49 C ATOM 14893 CD1 TYR C 184 45.456 41.627 54.266 1.00 32.99 C ATOM 14895 CE1 TYR C 184 45.680 42.482 55.285 1.00 35.85 C ATOM 14897 CZ TYR C 184 44.853 43.570 55.459 1.00 39.95 C ATOM 14898 OH TYR C 184 45.049 44.511 56.484 1.00 46.78 O ATOM 14900 CE2 TYR C 184 43.838 43.748 54.621 1.00 32.10 C ATOM 14902 CD2 TYR C 184 43.623 42.887 53.612 1.00 33.46 C ATOM 14904 C TYR C 184 44.845 42.263 50.216 1.00 43.54 C ATOM 14905 O TYR C 184 45.836 42.918 49.891 1.00 47.52 O ATOM 14906 N THR C 185 43.609 42.626 49.881 1.00 45.07 N ATOM 14908 CA THR C 185 43.280 43.968 49.381 1.00 47.09 C ATOM 14910 CB THR C 185 43.121 44.018 47.889 1.00 48.22 C ATOM 14912 OG1 THR C 185 42.287 42.924 47.447 1.00 52.14 O ATOM 14914 CG2 THR C 185 44.474 43.823 47.207 1.00 48.12 C ATOM 14918 C THR C 185 41.961 44.331 50.010 1.00 45.23 C ATOM 14919 O THR C 185 41.187 43.469 50.313 1.00 51.13 O ATOM 14920 N GLY C 186 41.706 45.605 50.205 1.00 49.66 N ATOM 14922 CA GLY C 186 40.476 46.065 50.831 1.00 48.30 C ATOM 14925 C GLY C 186 40.560 45.905 52.325 1.00 48.55 C ATOM 14926 O GLY C 186 41.655 45.707 52.842 1.00 47.91 O ATOM 14927 N SER C 187 39.396 45.958 52.981 1.00 50.74 N ATOM 14929 CA SER C 187 39.240 45.868 54.440 1.00 52.59 C ATOM 14931 CB SER C 187 38.165 46.874 54.835 1.00 52.84 C ATOM 14934 OG SER C 187 38.765 48.164 54.996 1.00 64.09 O ATOM 14936 C SER C 187 38.900 44.491 55.071 1.00 51.13 C ATOM 14937 O SER C 187 38.078 43.735 54.553 1.00 58.59 O ATOM 14938 N LEU C 188 39.517 44.167 56.197 1.00 44.76 N ATOM 14940 CA LEU C 188 39.192 42.925 56.896 1.00 44.33 C ATOM 14942 CB LEU C 188 40.202 42.617 57.992 1.00 39.50 C ATOM 14945 CG LEU C 188 41.507 41.917 57.677 1.00 40.78 C ATOM 14947 CD1 LEU C 188 42.459 42.055 58.880 1.00 40.19 C ATOM 14951 CD2 LEU C 188 41.258 40.443 57.322 1.00 36.35 C ATOM 14955 C LEU C 188 37.879 43.128 57.610 1.00 48.87 C ATOM 14956 O LEU C 188 37.694 44.169 58.250 1.00 48.46 O ATOM 14957 N TRP C 189 36.971 42.152 57.523 1.00 50.27 N ATOM 14959 CA TRP C 189 35.720 42.206 58.282 1.00 46.66 C ATOM 14961 CB TRP C 189 34.526 42.094 57.365 1.00 49.51 C ATOM 14964 CG TRP C 189 34.218 43.331 56.642 1.00 46.43 C ATOM 14965 CD1 TRP C 189 34.767 43.747 55.472 1.00 50.14 C ATOM 14967 NE1 TRP C 189 34.226 44.953 55.103 1.00 45.63 N ATOM 14969 CE2 TRP C 189 33.316 45.334 56.048 1.00 42.21 C ATOM 14970 CD2 TRP C 189 33.282 44.328 57.024 1.00 46.72 C ATOM 14971 CE3 TRP C 189 32.415 44.487 58.110 1.00 51.29 C ATOM 14973 CZ3 TRP C 189 31.629 45.612 58.171 1.00 45.32 C ATOM 14975 CH2 TRP C 189 31.691 46.580 57.183 1.00 43.31 C ATOM 14977 CZ2 TRP C 189 32.530 46.459 56.118 1.00 40.90 C ATOM 14979 C TRP C 189 35.739 41.024 59.234 1.00 47.48 C ATOM 14980 O TRP C 189 36.164 39.955 58.850 1.00 52.47 O ATOM 14981 N TYR C 190 35.285 41.212 60.466 1.00 47.80 N ATOM 14983 CA TYR C 190 35.345 40.164 61.477 1.00 49.62 C ATOM 14985 CB TYR C 190 36.104 40.623 62.725 1.00 51.24 C ATOM 14988 CG TYR C 190 37.569 40.940 62.541 1.00 54.91 C ATOM 14989 CD1 TYR C 190 37.958 42.213 62.201 1.00 54.91 C ATOM 14991 CE1 TYR C 190 39.281 42.539 62.037 1.00 55.50 C ATOM 14993 CZ TYR C 190 40.257 41.593 62.212 1.00 60.48 C ATOM 14994 OH TYR C 190 41.560 42.025 62.025 1.00 63.65 O ATOM 14996 CE2 TYR C 190 39.909 40.309 62.557 1.00 54.45 C ATOM 14998 CD2 TYR C 190 38.560 39.991 62.724 1.00 51.81 C ATOM 15000 C TYR C 190 33.974 39.656 61.943 1.00 50.65 C ATOM 15001 O TYR C 190 33.088 40.459 62.254 1.00 48.81 O ATOM 15002 N THR C 191 33.820 38.322 61.995 1.00 48.48 N ATOM 15004 CA THR C 191 32.600 37.689 62.484 1.00 45.23 C ATOM 15006 CB THR C 191 32.090 36.647 61.492 1.00 43.53 C ATOM 15008 OG1 THR C 191 30.809 36.160 61.917 1.00 47.87 O ATOM 15010 CG2 THR C 191 32.973 35.419 61.505 1.00 47.43 C ATOM 15014 C THR C 191 33.009 37.017 63.775 1.00 43.55 C ATOM 15015 O THR C 191 34.143 36.540 63.858 1.00 46.67 O ATOM 15016 N PRO C 192 32.125 36.948 64.774 1.00 43.58 N ATOM 15017 CA PRO C 192 32.486 36.382 66.084 1.00 40.68 C ATOM 15019 CB PRO C 192 31.334 36.786 66.980 1.00 35.99 C ATOM 15022 CG PRO C 192 30.531 37.704 66.212 1.00 39.36 C ATOM 15025 CD PRO C 192 30.718 37.376 64.766 1.00 43.30 C ATOM 15028 C PRO C 192 32.515 34.907 66.109 1.00 42.65 C ATOM 15029 O PRO C 192 31.684 34.307 65.446 1.00 46.37 O ATOM 15030 N ILE C 193 33.444 34.335 66.868 1.00 49.91 N ATOM 15032 CA ILE C 193 33.504 32.886 67.059 1.00 49.57 C ATOM 15034 CB ILE C 193 34.897 32.436 67.468 1.00 51.07 C ATOM 15036 CG1 ILE C 193 35.908 32.688 66.353 1.00 48.43 C ATOM 15039 CD1 ILE C 193 37.370 32.489 66.806 1.00 45.97 C ATOM 15043 CG2 ILE C 193 34.900 30.990 67.792 1.00 52.95 C ATOM 15047 C ILE C 193 32.481 32.601 68.140 1.00 49.00 C ATOM 15048 O ILE C 193 32.546 33.112 69.244 1.00 53.60 O ATOM 15049 N ARG C 194 31.515 31.789 67.788 1.00 51.30 N ATOM 15051 CA ARG C 194 30.380 31.515 68.636 1.00 52.47 C ATOM 15053 CB ARG C 194 29.397 30.664 67.867 1.00 50.52 C ATOM 15056 CG ARG C 194 28.155 30.427 68.634 1.00 54.20 C ATOM 15059 CD ARG C 194 27.064 29.819 67.810 1.00 52.92 C ATOM 15062 NE ARG C 194 25.825 29.795 68.558 1.00 52.77 N ATOM 15064 CZ ARG C 194 25.026 28.743 68.642 1.00 56.49 C ATOM 15065 NH1 ARG C 194 25.330 27.617 68.016 1.00 54.87 N ATOM 15068 NH2 ARG C 194 23.906 28.824 69.354 1.00 58.48 N ATOM 15071 C ARG C 194 30.745 30.746 69.870 1.00 55.75 C ATOM 15072 O ARG C 194 30.253 31.017 70.956 1.00 57.01 O ATOM 15073 N ARG C 195 31.607 29.759 69.692 1.00 59.11 N ATOM 15075 CA ARG C 195 31.973 28.902 70.790 1.00 59.31 C ATOM 15077 CB ARG C 195 30.995 27.764 70.945 1.00 61.07 C ATOM 15080 CG ARG C 195 30.821 27.418 72.392 1.00 64.46 C ATOM 15083 CD ARG C 195 31.137 25.977 72.690 1.00 67.27 C ATOM 15086 NE ARG C 195 30.142 25.083 72.128 1.00 66.30 N ATOM 15088 CZ ARG C 195 30.096 23.795 72.352 1.00 63.54 C ATOM 15089 NH1 ARG C 195 31.012 23.226 73.136 1.00 67.84 N ATOM 15092 NH2 ARG C 195 29.136 23.080 71.786 1.00 58.10 N ATOM 15095 C ARG C 195 33.311 28.328 70.540 1.00 57.13 C ATOM 15096 O ARG C 195 33.657 28.010 69.409 1.00 57.63 O ATOM 15097 N GLU C 196 34.064 28.179 71.614 1.00 55.49 N ATOM 15099 CA GLU C 196 35.439 27.772 71.492 1.00 53.91 C ATOM 15101 CB GLU C 196 36.266 28.390 72.627 1.00 54.10 C ATOM 15104 CG GLU C 196 36.813 29.768 72.252 1.00 56.99 C ATOM 15107 CD GLU C 196 37.389 30.542 73.417 1.00 54.97 C ATOM 15108 OE1 GLU C 196 37.947 29.924 74.327 1.00 59.03 O ATOM 15109 OE2 GLU C 196 37.278 31.777 73.422 1.00 62.18 O ATOM 15110 C GLU C 196 35.569 26.287 71.468 1.00 49.41 C ATOM 15111 O GLU C 196 35.832 25.689 72.484 1.00 58.38 O ATOM 15112 N TRP C 197 35.365 25.689 70.307 1.00 44.54 N ATOM 15114 CA TRP C 197 35.667 24.254 70.129 1.00 43.73 C ATOM 15116 CB TRP C 197 34.518 23.348 70.471 1.00 44.23 C ATOM 15119 CG TRP C 197 33.243 23.641 69.824 1.00 46.97 C ATOM 15120 CD1 TRP C 197 32.774 24.851 69.402 1.00 46.93 C ATOM 15122 NE1 TRP C 197 31.530 24.704 68.849 1.00 39.59 N ATOM 15124 CE2 TRP C 197 31.176 23.389 68.908 1.00 45.07 C ATOM 15125 CD2 TRP C 197 32.237 22.696 69.520 1.00 47.29 C ATOM 15126 CE3 TRP C 197 32.118 21.326 69.695 1.00 44.90 C ATOM 15128 CZ3 TRP C 197 30.950 20.707 69.265 1.00 46.40 C ATOM 15130 CH2 TRP C 197 29.924 21.419 68.674 1.00 43.73 C ATOM 15132 CZ2 TRP C 197 30.012 22.757 68.484 1.00 49.22 C ATOM 15134 C TRP C 197 36.159 24.039 68.713 1.00 41.47 C ATOM 15135 O TRP C 197 37.354 24.026 68.484 1.00 40.26 O ATOM 15136 N TYR C 198 35.265 23.864 67.758 1.00 43.56 N ATOM 15138 CA TYR C 198 35.681 24.018 66.375 1.00 45.02 C ATOM 15140 CB TYR C 198 34.617 23.530 65.443 1.00 47.08 C ATOM 15143 CG TYR C 198 34.364 22.060 65.493 1.00 46.30 C ATOM 15144 CD1 TYR C 198 35.062 21.207 64.639 1.00 44.86 C ATOM 15146 CE1 TYR C 198 34.843 19.877 64.651 1.00 43.00 C ATOM 15148 CZ TYR C 198 33.911 19.347 65.520 1.00 41.88 C ATOM 15149 OH TYR C 198 33.750 18.004 65.494 1.00 29.11 O ATOM 15151 CE2 TYR C 198 33.188 20.156 66.383 1.00 44.38 C ATOM 15153 CD2 TYR C 198 33.418 21.520 66.363 1.00 43.48 C ATOM 15155 C TYR C 198 35.802 25.526 66.232 1.00 41.33 C ATOM 15156 O TYR C 198 35.698 26.191 67.216 1.00 46.95 O ATOM 15157 N TYR C 199 36.058 26.049 65.035 1.00 44.07 N ATOM 15159 CA TYR C 199 36.047 27.504 64.759 1.00 42.83 C ATOM 15161 CB TYR C 199 37.161 27.933 63.758 1.00 39.32 C ATOM 15164 CG TYR C 199 38.494 28.044 64.448 1.00 37.70 C ATOM 15165 CD1 TYR C 199 39.421 27.041 64.346 1.00 40.50 C ATOM 15167 CE1 TYR C 199 40.637 27.114 65.007 1.00 42.66 C ATOM 15169 CZ TYR C 199 40.932 28.211 65.793 1.00 44.12 C ATOM 15170 OH TYR C 199 42.147 28.239 66.426 1.00 35.21 O ATOM 15172 CE2 TYR C 199 40.008 29.247 65.931 1.00 37.43 C ATOM 15174 CD2 TYR C 199 38.800 29.152 65.263 1.00 40.32 C ATOM 15176 C TYR C 199 34.647 27.733 64.200 1.00 46.28 C ATOM 15177 O TYR C 199 34.443 27.731 62.985 1.00 45.68 O ATOM 15178 N GLU C 200 33.685 27.902 65.104 1.00 48.83 N ATOM 15180 CA GLU C 200 32.273 27.958 64.746 1.00 49.81 C ATOM 15182 CB GLU C 200 31.387 27.454 65.917 1.00 51.32 C ATOM 15185 CG GLU C 200 29.895 27.584 65.613 1.00 55.33 C ATOM 15188 CD GLU C 200 28.906 26.930 66.581 1.00 53.36 C ATOM 15189 OE1 GLU C 200 29.287 26.452 67.656 1.00 54.60 O ATOM 15190 OE2 GLU C 200 27.691 26.914 66.248 1.00 53.86 O ATOM 15191 C GLU C 200 31.860 29.363 64.350 1.00 51.65 C ATOM 15192 O GLU C 200 32.292 30.315 64.973 1.00 50.64 O ATOM 15193 N VAL C 201 31.026 29.467 63.307 1.00 51.45 N ATOM 15195 CA VAL C 201 30.461 30.724 62.832 1.00 46.63 C ATOM 15197 CB VAL C 201 31.231 31.274 61.575 1.00 46.72 C ATOM 15199 CG1 VAL C 201 32.720 31.290 61.826 1.00 46.42 C ATOM 15203 CG2 VAL C 201 30.925 30.490 60.319 1.00 43.26 C ATOM 15207 C VAL C 201 28.940 30.649 62.528 1.00 44.99 C ATOM 15208 O VAL C 201 28.376 29.572 62.414 1.00 54.23 O ATOM 15209 N ILE C 202 28.293 31.822 62.411 1.00 48.31 N ATOM 15211 CA ILE C 202 26.856 31.919 62.056 1.00 42.18 C ATOM 15213 CB ILE C 202 25.960 32.584 63.153 1.00 46.13 C ATOM 15215 CG1 ILE C 202 25.705 31.620 64.319 1.00 52.03 C ATOM 15218 CD1 ILE C 202 25.448 32.297 65.708 1.00 47.21 C ATOM 15222 CG2 ILE C 202 24.579 32.776 62.594 1.00 47.93 C ATOM 15226 C ILE C 202 26.593 32.612 60.710 1.00 43.46 C ATOM 15227 O ILE C 202 26.878 33.802 60.543 1.00 38.75 O ATOM 15228 N ILE C 203 26.020 31.835 59.782 1.00 42.36 N ATOM 15230 CA ILE C 203 25.653 32.266 58.452 1.00 38.42 C ATOM 15232 CB ILE C 203 25.821 31.121 57.521 1.00 39.19 C ATOM 15234 CG1 ILE C 203 27.291 30.844 57.270 1.00 33.90 C ATOM 15237 CD1 ILE C 203 27.493 29.632 56.433 1.00 33.12 C ATOM 15241 CG2 ILE C 203 25.129 31.425 56.216 1.00 43.76 C ATOM 15245 C ILE C 203 24.172 32.651 58.419 1.00 46.84 C ATOM 15246 O ILE C 203 23.325 31.774 58.599 1.00 42.94 O ATOM 15247 N VAL C 204 23.882 33.938 58.150 1.00 44.19 N ATOM 15249 CA VAL C 204 22.544 34.494 58.261 1.00 40.88 C ATOM 15251 CB VAL C 204 22.551 35.857 58.956 1.00 39.68 C ATOM 15253 CG1 VAL C 204 23.310 35.782 60.252 1.00 45.63 C ATOM 15257 CG2 VAL C 204 23.163 36.889 58.094 1.00 38.86 C ATOM 15261 C VAL C 204 21.836 34.673 56.947 1.00 41.55 C ATOM 15262 O VAL C 204 20.631 34.867 56.901 1.00 40.27 O ATOM 15263 N ARG C 205 22.546 34.630 55.851 1.00 44.70 N ATOM 15265 CA ARG C 205 21.813 34.671 54.594 1.00 43.15 C ATOM 15267 CB ARG C 205 21.363 36.095 54.387 1.00 42.20 C ATOM 15270 CG ARG C 205 20.722 36.355 53.055 1.00 45.65 C ATOM 15273 CD ARG C 205 20.529 37.833 52.808 1.00 40.86 C ATOM 15276 NE ARG C 205 20.356 38.095 51.406 1.00 43.85 N ATOM 15278 CZ ARG C 205 19.209 38.492 50.860 1.00 56.25 C ATOM 15279 NH1 ARG C 205 18.138 38.663 51.623 1.00 49.46 N ATOM 15282 NH2 ARG C 205 19.131 38.724 49.538 1.00 59.23 N ATOM 15285 C ARG C 205 22.634 34.130 53.409 1.00 42.48 C ATOM 15286 O ARG C 205 23.813 34.449 53.284 1.00 41.99 O ATOM 15287 N VAL C 206 22.026 33.317 52.550 1.00 40.52 N ATOM 15289 CA VAL C 206 22.737 32.791 51.379 1.00 41.02 C ATOM 15291 CB VAL C 206 22.927 31.279 51.471 1.00 40.59 C ATOM 15293 CG1 VAL C 206 23.317 30.696 50.129 1.00 42.15 C ATOM 15297 CG2 VAL C 206 24.031 30.961 52.462 1.00 41.87 C ATOM 15301 C VAL C 206 22.034 33.153 50.075 1.00 43.12 C ATOM 15302 O VAL C 206 20.813 33.046 49.996 1.00 47.55 O ATOM 15303 N GLU C 207 22.806 33.595 49.065 1.00 44.82 N ATOM 15305 CA GLU C 207 22.279 34.018 47.753 1.00 41.44 C ATOM 15307 CB GLU C 207 22.430 35.512 47.568 1.00 41.47 C ATOM 15310 CG GLU C 207 21.512 36.430 48.314 1.00 42.60 C ATOM 15313 CD GLU C 207 22.035 37.856 48.249 1.00 50.19 C ATOM 15314 OE1 GLU C 207 22.821 38.160 47.296 1.00 52.39 O ATOM 15315 OE2 GLU C 207 21.679 38.666 49.147 1.00 46.64 O ATOM 15316 C GLU C 207 23.034 33.399 46.566 1.00 41.75 C ATOM 15317 O GLU C 207 24.211 33.080 46.689 1.00 36.68 O ATOM 15318 N ILE C 208 22.342 33.253 45.423 1.00 40.80 N ATOM 15320 CA ILE C 208 22.905 32.702 44.200 1.00 40.34 C ATOM 15322 CB ILE C 208 22.245 31.408 43.864 1.00 39.20 C ATOM 15324 CG1 ILE C 208 22.071 30.557 45.096 1.00 40.09 C ATOM 15327 CD1 ILE C 208 23.285 29.762 45.470 1.00 40.99 C ATOM 15331 CG2 ILE C 208 23.075 30.663 42.809 1.00 43.38 C ATOM 15335 C ILE C 208 22.593 33.697 43.111 1.00 42.32 C ATOM 15336 O ILE C 208 21.440 33.839 42.734 1.00 52.77 O ATOM 15337 N ASN C 209 23.622 34.358 42.581 1.00 46.89 N ATOM 15339 CA ASN C 209 23.490 35.589 41.739 1.00 39.83 C ATOM 15341 CB ASN C 209 23.200 35.302 40.256 1.00 34.52 C ATOM 15344 CG ASN C 209 24.501 35.018 39.447 1.00 36.76 C ATOM 15345 OD1 ASN C 209 25.573 35.001 40.006 1.00 41.74 O ATOM 15346 ND2 ASN C 209 24.391 34.808 38.132 1.00 39.00 N ATOM 15349 C ASN C 209 22.527 36.598 42.359 1.00 37.58 C ATOM 15350 O ASN C 209 21.701 37.132 41.701 1.00 48.40 O ATOM 15351 N GLY C 210 22.673 36.854 43.652 1.00 46.50 N ATOM 15353 CA GLY C 210 21.882 37.848 44.370 1.00 41.31 C ATOM 15356 C GLY C 210 20.518 37.398 44.884 1.00 41.24 C ATOM 15357 O GLY C 210 19.844 38.161 45.549 1.00 37.25 O ATOM 15358 N GLN C 211 20.113 36.163 44.594 1.00 46.35 N ATOM 15360 CA GLN C 211 18.781 35.675 44.963 1.00 45.47 C ATOM 15362 CB GLN C 211 18.262 34.732 43.882 1.00 49.01 C ATOM 15365 CG GLN C 211 16.792 34.340 44.050 1.00 48.53 C ATOM 15368 CD GLN C 211 16.314 33.366 42.969 1.00 52.21 C ATOM 15369 OE1 GLN C 211 17.113 32.799 42.237 1.00 59.52 O ATOM 15370 NE2 GLN C 211 15.007 33.168 42.882 1.00 62.94 N ATOM 15373 C GLN C 211 18.784 34.920 46.237 1.00 44.55 C ATOM 15374 O GLN C 211 19.593 34.039 46.396 1.00 47.96 O ATOM 15375 N ASP C 212 17.866 35.263 47.137 1.00 47.82 N ATOM 15377 CA ASP C 212 17.721 34.610 48.445 1.00 48.03 C ATOM 15379 CB ASP C 212 16.568 35.289 49.184 1.00 46.60 C ATOM 15382 CG ASP C 212 16.680 35.212 50.710 1.00 54.20 C ATOM 15383 OD1 ASP C 212 17.374 34.336 51.273 1.00 61.39 O ATOM 15384 OD2 ASP C 212 16.077 36.007 51.457 1.00 60.59 O ATOM 15385 C ASP C 212 17.410 33.100 48.296 1.00 52.45 C ATOM 15386 O ASP C 212 16.578 32.729 47.490 1.00 56.67 O ATOM 15387 N LEU C 213 18.087 32.240 49.055 1.00 55.42 N ATOM 15389 CA LEU C 213 17.742 30.820 49.133 1.00 56.97 C ATOM 15391 CB LEU C 213 18.895 30.033 49.754 1.00 58.95 C ATOM 15394 CG LEU C 213 19.416 28.788 49.047 1.00 59.16 C ATOM 15396 CD1 LEU C 213 20.101 29.126 47.742 1.00 63.01 C ATOM 15400 CD2 LEU C 213 20.399 28.127 49.943 1.00 60.50 C ATOM 15404 C LEU C 213 16.458 30.806 50.017 1.00 62.07 C ATOM 15405 O LEU C 213 15.551 29.957 49.888 1.00 61.04 O ATOM 15406 N LYS C 214 16.396 31.769 50.929 1.00 63.07 N ATOM 15408 CA LYS C 214 15.125 32.134 51.531 1.00 65.72 C ATOM 15410 CB LYS C 214 14.086 32.338 50.413 1.00 68.54 C ATOM 15413 CG LYS C 214 13.163 33.531 50.668 1.00 73.60 C ATOM 15416 CD LYS C 214 11.780 33.375 50.049 1.00 77.37 C ATOM 15419 CE LYS C 214 10.778 34.279 50.782 1.00 80.25 C ATOM 15422 NZ LYS C 214 9.511 34.543 49.997 1.00 81.27 N ATOM 15426 C LYS C 214 14.595 31.119 52.502 1.00 65.65 C ATOM 15427 O LYS C 214 13.379 30.934 52.638 1.00 66.01 O ATOM 15428 N MET C 215 15.509 30.463 53.188 1.00 63.58 N ATOM 15430 CA MET C 215 15.135 29.471 54.158 1.00 61.94 C ATOM 15432 CB MET C 215 16.070 28.284 53.990 1.00 61.98 C ATOM 15435 CG MET C 215 15.962 27.721 52.571 1.00 65.30 C ATOM 15438 SD MET C 215 17.057 26.390 52.158 1.00 66.94 S ATOM 15439 CE MET C 215 17.630 26.053 53.654 1.00 69.99 C ATOM 15443 C MET C 215 15.206 30.067 55.558 1.00 61.53 C ATOM 15444 O MET C 215 15.628 31.208 55.733 1.00 62.98 O ATOM 15445 N ASP C 216 14.770 29.312 56.552 1.00 59.98 N ATOM 15447 CA ASP C 216 14.984 29.732 57.917 1.00 63.83 C ATOM 15449 CB ASP C 216 14.421 28.723 58.910 1.00 63.59 C ATOM 15452 CG ASP C 216 14.491 29.219 60.341 1.00 63.16 C ATOM 15453 OD1 ASP C 216 15.548 29.759 60.739 1.00 69.24 O ATOM 15454 OD2 ASP C 216 13.541 29.119 61.139 1.00 58.32 O ATOM 15455 C ASP C 216 16.489 29.813 58.110 1.00 67.41 C ATOM 15456 O ASP C 216 17.241 28.950 57.662 1.00 70.90 O ATOM 15457 N CYS C 217 16.938 30.845 58.787 1.00 68.15 N ATOM 15459 CA CYS C 217 18.351 31.024 58.969 1.00 72.70 C ATOM 15461 CB CYS C 217 18.529 32.328 59.712 1.00 74.24 C ATOM 15464 SG CYS C 217 18.246 32.242 61.449 1.00 86.77 S ATOM 15465 C CYS C 217 19.059 29.819 59.668 1.00 71.10 C ATOM 15466 O CYS C 217 20.134 29.351 59.235 1.00 66.77 O ATOM 15467 N LYS C 218 18.447 29.314 60.736 1.00 70.12 N ATOM 15469 CA LYS C 218 18.971 28.156 61.466 1.00 67.64 C ATOM 15471 CB LYS C 218 17.922 27.688 62.483 1.00 67.20 C ATOM 15474 CG LYS C 218 17.853 28.475 63.795 1.00 70.89 C ATOM 15477 CD LYS C 218 17.000 27.722 64.838 1.00 73.15 C ATOM 15480 CE LYS C 218 16.593 28.602 66.030 1.00 74.74 C ATOM 15483 NZ LYS C 218 15.949 29.917 65.624 1.00 73.64 N ATOM 15487 C LYS C 218 19.318 26.997 60.515 1.00 63.47 C ATOM 15488 O LYS C 218 20.271 26.234 60.716 1.00 60.95 O ATOM 15489 N GLU C 219 18.540 26.865 59.462 1.00 60.07 N ATOM 15491 CA GLU C 219 18.752 25.751 58.582 1.00 60.47 C ATOM 15493 CB GLU C 219 17.606 25.606 57.552 1.00 61.66 C ATOM 15496 CG GLU C 219 16.924 24.226 57.549 1.00 68.73 C ATOM 15499 CD GLU C 219 15.776 24.058 58.574 1.00 79.28 C ATOM 15500 OE1 GLU C 219 14.678 24.678 58.418 1.00 80.66 O ATOM 15501 OE2 GLU C 219 15.962 23.280 59.549 1.00 81.82 O ATOM 15502 C GLU C 219 20.130 25.899 57.963 1.00 56.72 C ATOM 15503 O GLU C 219 20.748 24.903 57.588 1.00 59.58 O ATOM 15504 N TYR C 220 20.643 27.126 57.870 1.00 56.94 N ATOM 15506 CA TYR C 220 22.003 27.337 57.313 1.00 51.25 C ATOM 15508 CB TYR C 220 22.231 28.803 56.908 1.00 50.12 C ATOM 15511 CG TYR C 220 21.253 29.350 55.891 1.00 51.08 C ATOM 15512 CD1 TYR C 220 20.657 30.589 56.072 1.00 52.25 C ATOM 15514 CE1 TYR C 220 19.758 31.101 55.142 1.00 50.67 C ATOM 15516 CZ TYR C 220 19.460 30.362 54.028 1.00 48.80 C ATOM 15517 OH TYR C 220 18.584 30.861 53.123 1.00 54.70 O ATOM 15519 CE2 TYR C 220 20.029 29.140 53.811 1.00 47.32 C ATOM 15521 CD2 TYR C 220 20.927 28.634 54.741 1.00 53.35 C ATOM 15523 C TYR C 220 23.106 26.890 58.295 1.00 50.69 C ATOM 15524 O TYR C 220 24.252 26.689 57.913 1.00 49.00 O ATOM 15525 N ASN C 221 22.780 26.754 59.569 1.00 50.57 N ATOM 15527 CA ASN C 221 23.770 26.262 60.506 1.00 55.15 C ATOM 15529 CB ASN C 221 24.208 27.421 61.384 1.00 55.72 C ATOM 15532 CG ASN C 221 24.244 28.687 60.624 1.00 58.30 C ATOM 15533 OD1 ASN C 221 25.274 29.062 60.045 1.00 61.72 O ATOM 15534 ND2 ASN C 221 23.104 29.357 60.582 1.00 60.35 N ATOM 15537 C ASN C 221 23.219 25.081 61.310 1.00 55.63 C ATOM 15538 O ASN C 221 23.444 24.978 62.517 1.00 53.22 O ATOM 15539 N TYR C 222 22.510 24.188 60.627 1.00 55.35 N ATOM 15541 CA TYR C 222 21.764 23.173 61.334 1.00 55.70 C ATOM 15543 CB TYR C 222 20.643 22.579 60.521 1.00 59.55 C ATOM 15546 CG TYR C 222 20.139 21.358 61.212 1.00 63.51 C ATOM 15547 CD1 TYR C 222 19.875 21.375 62.578 1.00 65.98 C ATOM 15549 CE1 TYR C 222 19.414 20.235 63.230 1.00 69.85 C ATOM 15551 CZ TYR C 222 19.215 19.049 62.511 1.00 72.74 C ATOM 15552 OH TYR C 222 18.757 17.898 63.130 1.00 71.88 O ATOM 15554 CE2 TYR C 222 19.476 19.019 61.155 1.00 72.46 C ATOM 15556 CD2 TYR C 222 19.940 20.174 60.515 1.00 66.13 C ATOM 15558 C TYR C 222 22.748 22.140 61.714 1.00 55.15 C ATOM 15559 O TYR C 222 23.304 21.468 60.853 1.00 51.38 O ATOM 15560 N ASP C 223 22.904 22.013 63.027 1.00 60.19 N ATOM 15562 CA ASP C 223 24.044 21.398 63.668 1.00 57.35 C ATOM 15564 CB ASP C 223 24.600 20.222 62.885 1.00 64.20 C ATOM 15567 CG ASP C 223 25.633 19.430 63.682 1.00 68.05 C ATOM 15568 OD1 ASP C 223 26.491 18.782 63.058 1.00 75.23 O ATOM 15569 OD2 ASP C 223 25.669 19.410 64.935 1.00 65.90 O ATOM 15570 C ASP C 223 25.109 22.491 63.857 1.00 53.89 C ATOM 15571 O ASP C 223 25.364 22.902 64.969 1.00 51.49 O ATOM 15572 N LYS C 224 25.729 22.980 62.788 1.00 51.65 N ATOM 15574 CA LYS C 224 26.750 24.020 62.949 1.00 48.28 C ATOM 15576 CB LYS C 224 27.919 23.538 63.825 1.00 49.33 C ATOM 15579 CG LYS C 224 28.786 22.456 63.125 1.00 50.13 C ATOM 15582 CD LYS C 224 29.770 21.673 64.049 1.00 51.00 C ATOM 15585 CE LYS C 224 29.958 20.230 63.586 1.00 56.39 C ATOM 15588 NZ LYS C 224 28.761 19.360 63.812 1.00 54.03 N ATOM 15592 C LYS C 224 27.355 24.489 61.644 1.00 50.04 C ATOM 15593 O LYS C 224 27.279 23.799 60.619 1.00 44.69 O ATOM 15594 N SER C 225 27.960 25.684 61.708 1.00 50.25 N ATOM 15596 CA SER C 225 28.747 26.210 60.604 1.00 47.90 C ATOM 15598 CB SER C 225 28.098 27.468 60.076 1.00 47.14 C ATOM 15601 OG SER C 225 26.865 27.124 59.460 1.00 52.47 O ATOM 15603 C SER C 225 30.179 26.415 61.102 1.00 44.94 C ATOM 15604 O SER C 225 30.396 27.152 62.055 1.00 47.22 O ATOM 15605 N ILE C 226 31.149 25.745 60.479 1.00 45.19 N ATOM 15607 CA ILE C 226 32.557 25.868 60.888 1.00 43.93 C ATOM 15609 CB ILE C 226 33.045 24.557 61.593 1.00 39.91 C ATOM 15611 CG1 ILE C 226 33.415 23.500 60.579 1.00 39.64 C ATOM 15614 CD1 ILE C 226 34.031 22.226 61.231 1.00 37.78 C ATOM 15618 CG2 ILE C 226 31.999 24.023 62.556 1.00 42.23 C ATOM 15622 C ILE C 226 33.472 26.181 59.710 1.00 43.36 C ATOM 15623 O ILE C 226 33.060 26.084 58.545 1.00 42.72 O ATOM 15624 N VAL C 227 34.717 26.544 60.020 1.00 45.45 N ATOM 15626 CA VAL C 227 35.743 26.881 59.000 1.00 48.25 C ATOM 15628 CB VAL C 227 36.309 28.367 59.169 1.00 47.46 C ATOM 15630 CG1 VAL C 227 37.483 28.629 58.234 1.00 46.44 C ATOM 15634 CG2 VAL C 227 35.241 29.399 58.940 1.00 48.83 C ATOM 15638 C VAL C 227 36.907 25.894 59.111 1.00 44.62 C ATOM 15639 O VAL C 227 37.588 25.862 60.143 1.00 41.47 O ATOM 15640 N ASP C 228 37.146 25.120 58.043 1.00 45.60 N ATOM 15642 CA ASP C 228 38.103 24.013 58.065 1.00 43.43 C ATOM 15644 CB ASP C 228 37.291 22.734 58.217 1.00 44.61 C ATOM 15647 CG ASP C 228 38.162 21.501 58.399 1.00 49.06 C ATOM 15648 OD1 ASP C 228 39.346 21.674 58.748 1.00 51.29 O ATOM 15649 OD2 ASP C 228 37.754 20.325 58.225 1.00 48.80 O ATOM 15650 C ASP C 228 39.059 23.867 56.868 1.00 42.97 C ATOM 15651 O ASP C 228 38.667 23.383 55.830 1.00 51.06 O ATOM 15652 N SER C 229 40.319 24.264 57.035 1.00 42.95 N ATOM 15654 CA SER C 229 41.355 24.153 55.999 1.00 42.72 C ATOM 15656 CB SER C 229 42.649 24.816 56.493 1.00 45.39 C ATOM 15659 OG SER C 229 43.168 24.142 57.661 1.00 48.69 O ATOM 15661 C SER C 229 41.719 22.733 55.619 1.00 43.75 C ATOM 15662 O SER C 229 42.444 22.509 54.667 1.00 44.82 O ATOM 15663 N GLY C 230 41.256 21.765 56.389 1.00 47.33 N ATOM 15665 CA GLY C 230 41.472 20.366 56.072 1.00 45.82 C ATOM 15668 C GLY C 230 40.324 19.725 55.294 1.00 47.37 C ATOM 15669 O GLY C 230 40.365 18.517 55.074 1.00 50.08 O ATOM 15670 N THR C 231 39.329 20.528 54.875 1.00 50.13 N ATOM 15672 CA THR C 231 38.127 20.075 54.126 1.00 44.81 C ATOM 15674 CB THR C 231 36.847 20.427 54.846 1.00 41.41 C ATOM 15676 OG1 THR C 231 36.874 19.913 56.171 1.00 42.47 O ATOM 15678 CG2 THR C 231 35.737 19.674 54.262 1.00 45.87 C ATOM 15682 C THR C 231 38.097 20.737 52.773 1.00 46.97 C ATOM 15683 O THR C 231 38.225 21.973 52.653 1.00 41.58 O ATOM 15684 N THR C 232 37.903 19.909 51.755 1.00 47.97 N ATOM 15686 CA THR C 232 38.114 20.336 50.382 1.00 48.47 C ATOM 15688 CB THR C 232 38.315 19.108 49.509 1.00 47.83 C ATOM 15690 OG1 THR C 232 39.514 18.422 49.871 1.00 46.26 O ATOM 15692 CG2 THR C 232 38.589 19.543 48.087 1.00 52.26 C ATOM 15696 C THR C 232 36.991 21.136 49.741 1.00 49.88 C ATOM 15697 O THR C 232 37.264 22.026 48.965 1.00 52.26 O ATOM 15698 N ASN C 233 35.743 20.788 50.054 1.00 47.73 N ATOM 15700 CA ASN C 233 34.586 21.318 49.385 1.00 44.90 C ATOM 15702 CB ASN C 233 33.570 20.208 49.063 1.00 44.37 C ATOM 15705 CG ASN C 233 34.025 19.181 48.006 1.00 47.43 C ATOM 15706 OD1 ASN C 233 35.051 19.285 47.345 1.00 52.27 O ATOM 15707 ND2 ASN C 233 33.216 18.155 47.871 1.00 47.91 N ATOM 15710 C ASN C 233 33.865 22.287 50.313 1.00 49.52 C ATOM 15711 O ASN C 233 34.283 22.502 51.451 1.00 51.70 O ATOM 15712 N LEU C 234 32.787 22.878 49.792 1.00 49.50 N ATOM 15714 CA LEU C 234 31.851 23.671 50.561 1.00 50.43 C ATOM 15716 CB LEU C 234 31.168 24.715 49.667 1.00 49.25 C ATOM 15719 CG LEU C 234 30.577 25.984 50.268 1.00 46.33 C ATOM 15721 CD1 LEU C 234 29.479 26.523 49.377 1.00 40.51 C ATOM 15725 CD2 LEU C 234 30.090 25.777 51.667 1.00 46.97 C ATOM 15729 C LEU C 234 30.852 22.593 50.965 1.00 49.62 C ATOM 15730 O LEU C 234 30.407 21.816 50.116 1.00 45.22 O ATOM 15731 N ARG C 235 30.491 22.520 52.239 1.00 48.90 N ATOM 15733 CA ARG C 235 29.625 21.424 52.677 1.00 44.81 C ATOM 15735 CB ARG C 235 30.348 20.503 53.656 1.00 43.27 C ATOM 15738 CG ARG C 235 31.341 19.584 53.002 1.00 43.89 C ATOM 15741 CD ARG C 235 30.842 18.160 52.801 1.00 50.43 C ATOM 15744 NE ARG C 235 31.337 17.255 53.837 1.00 50.04 N ATOM 15746 CZ ARG C 235 31.221 15.938 53.811 1.00 45.48 C ATOM 15747 NH1 ARG C 235 31.708 15.258 54.800 1.00 46.80 N ATOM 15750 NH2 ARG C 235 30.623 15.297 52.831 1.00 47.49 N ATOM 15753 C ARG C 235 28.396 21.986 53.309 1.00 40.98 C ATOM 15754 O ARG C 235 28.468 22.809 54.227 1.00 37.83 O ATOM 15755 N LEU C 236 27.250 21.535 52.823 1.00 39.74 N ATOM 15757 CA LEU C 236 26.029 22.121 53.291 1.00 40.54 C ATOM 15759 CB LEU C 236 25.356 23.023 52.230 1.00 44.87 C ATOM 15762 CG LEU C 236 26.128 24.202 51.585 1.00 44.63 C ATOM 15764 CD1 LEU C 236 26.000 24.076 50.073 1.00 44.76 C ATOM 15768 CD2 LEU C 236 25.626 25.572 52.036 1.00 45.65 C ATOM 15772 C LEU C 236 25.108 21.049 53.643 1.00 43.06 C ATOM 15773 O LEU C 236 24.992 20.025 52.998 1.00 50.00 O ATOM 15774 N PRO C 237 24.421 21.296 54.709 1.00 43.05 N ATOM 15775 CA PRO C 237 23.369 20.404 55.125 1.00 47.30 C ATOM 15777 CB PRO C 237 22.620 21.271 56.095 1.00 43.42 C ATOM 15780 CG PRO C 237 23.724 22.119 56.697 1.00 39.72 C ATOM 15783 CD PRO C 237 24.594 22.448 55.598 1.00 39.54 C ATOM 15786 C PRO C 237 22.468 19.981 53.957 1.00 56.07 C ATOM 15787 O PRO C 237 22.182 20.767 53.053 1.00 61.19 O ATOM 15788 N LYS C 238 22.049 18.724 54.011 1.00 64.48 N ATOM 15790 CA LYS C 238 21.060 18.088 53.117 1.00 67.74 C ATOM 15792 CB LYS C 238 20.344 16.981 53.939 1.00 70.89 C ATOM 15795 CG LYS C 238 19.364 16.043 53.183 1.00 75.72 C ATOM 15798 CD LYS C 238 20.022 15.198 52.057 1.00 77.64 C ATOM 15801 CE LYS C 238 19.238 13.898 51.786 1.00 76.46 C ATOM 15804 NZ LYS C 238 19.681 13.117 50.588 1.00 74.66 N ATOM 15808 C LYS C 238 20.005 19.015 52.472 1.00 67.39 C ATOM 15809 O LYS C 238 19.814 19.005 51.247 1.00 67.71 O ATOM 15810 N LYS C 239 19.303 19.801 53.277 1.00 64.13 N ATOM 15812 CA LYS C 239 18.305 20.683 52.716 1.00 64.27 C ATOM 15814 CB LYS C 239 17.338 21.171 53.792 1.00 68.69 C ATOM 15817 CG LYS C 239 16.086 20.292 53.968 1.00 74.28 C ATOM 15820 CD LYS C 239 15.063 20.977 54.894 1.00 76.92 C ATOM 15823 CE LYS C 239 14.640 22.366 54.381 1.00 76.03 C ATOM 15826 NZ LYS C 239 13.915 23.177 55.415 1.00 74.75 N ATOM 15830 C LYS C 239 18.918 21.886 52.013 1.00 62.66 C ATOM 15831 O LYS C 239 18.495 22.234 50.903 1.00 62.29 O ATOM 15832 N VAL C 240 19.913 22.528 52.637 1.00 56.54 N ATOM 15834 CA VAL C 240 20.450 23.737 52.039 1.00 48.20 C ATOM 15836 CB VAL C 240 21.459 24.457 52.876 1.00 47.96 C ATOM 15838 CG1 VAL C 240 21.799 25.770 52.198 1.00 51.82 C ATOM 15842 CG2 VAL C 240 20.934 24.744 54.268 1.00 49.07 C ATOM 15846 C VAL C 240 21.110 23.315 50.780 1.00 44.11 C ATOM 15847 O VAL C 240 21.003 23.955 49.756 1.00 40.57 O ATOM 15848 N PHE C 241 21.797 22.200 50.839 1.00 43.45 N ATOM 15850 CA PHE C 241 22.457 21.728 49.645 1.00 44.85 C ATOM 15852 CB PHE C 241 23.107 20.393 49.912 1.00 44.07 C ATOM 15855 CG PHE C 241 23.738 19.768 48.699 1.00 44.31 C ATOM 15856 CD1 PHE C 241 25.015 20.034 48.369 1.00 40.53 C ATOM 15858 CE1 PHE C 241 25.575 19.460 47.272 1.00 42.85 C ATOM 15860 CZ PHE C 241 24.879 18.608 46.499 1.00 35.50 C ATOM 15862 CE2 PHE C 241 23.628 18.323 46.804 1.00 37.83 C ATOM 15864 CD2 PHE C 241 23.039 18.897 47.899 1.00 44.17 C ATOM 15866 C PHE C 241 21.495 21.587 48.488 1.00 46.73 C ATOM 15867 O PHE C 241 21.880 21.762 47.328 1.00 46.03 O ATOM 15868 N GLU C 242 20.241 21.294 48.824 1.00 50.74 N ATOM 15870 CA GLU C 242 19.228 20.899 47.851 1.00 51.33 C ATOM 15872 CB GLU C 242 18.100 20.168 48.570 1.00 56.02 C ATOM 15875 CG GLU C 242 18.214 18.657 48.515 1.00 62.01 C ATOM 15878 CD GLU C 242 18.576 18.183 47.122 1.00 66.03 C ATOM 15879 OE1 GLU C 242 18.159 18.881 46.155 1.00 67.53 O ATOM 15880 OE2 GLU C 242 19.277 17.134 46.997 1.00 60.97 O ATOM 15881 C GLU C 242 18.645 22.076 47.116 1.00 50.90 C ATOM 15882 O GLU C 242 18.470 22.057 45.901 1.00 46.64 O ATOM 15883 N ALA C 243 18.337 23.100 47.883 1.00 47.93 N ATOM 15885 CA ALA C 243 17.831 24.310 47.324 1.00 50.32 C ATOM 15887 CB ALA C 243 17.431 25.228 48.429 1.00 49.97 C ATOM 15891 C ALA C 243 18.932 24.932 46.484 1.00 53.72 C ATOM 15892 O ALA C 243 18.694 25.406 45.376 1.00 58.27 O ATOM 15893 N ALA C 244 20.142 24.925 47.020 1.00 55.49 N ATOM 15895 CA ALA C 244 21.270 25.524 46.335 1.00 53.08 C ATOM 15897 CB ALA C 244 22.505 25.573 47.229 1.00 55.11 C ATOM 15901 C ALA C 244 21.575 24.821 45.057 1.00 53.02 C ATOM 15902 O ALA C 244 21.779 25.481 44.073 1.00 60.49 O ATOM 15903 N VAL C 245 21.608 23.495 45.025 1.00 56.92 N ATOM 15905 CA VAL C 245 21.907 22.825 43.748 1.00 53.60 C ATOM 15907 CB VAL C 245 22.025 21.300 43.842 1.00 55.63 C ATOM 15909 CG1 VAL C 245 22.667 20.709 42.554 1.00 54.38 C ATOM 15913 CG2 VAL C 245 22.819 20.900 45.014 1.00 58.96 C ATOM 15917 C VAL C 245 20.804 23.069 42.734 1.00 55.12 C ATOM 15918 O VAL C 245 21.060 22.974 41.544 1.00 58.24 O ATOM 15919 N LYS C 246 19.574 23.356 43.160 1.00 52.47 N ATOM 15921 CA LYS C 246 18.549 23.620 42.157 1.00 58.91 C ATOM 15923 CB LYS C 246 17.129 23.817 42.754 1.00 62.86 C ATOM 15926 CG LYS C 246 16.324 22.600 43.183 1.00 70.41 C ATOM 15929 CD LYS C 246 16.388 21.363 42.223 1.00 76.82 C ATOM 15932 CE LYS C 246 17.595 20.433 42.499 1.00 77.01 C ATOM 15935 NZ LYS C 246 17.683 19.311 41.510 1.00 75.94 N ATOM 15939 C LYS C 246 18.944 24.940 41.486 1.00 56.47 C ATOM 15940 O LYS C 246 19.066 25.062 40.257 1.00 59.03 O ATOM 15941 N SER C 247 19.153 25.920 42.348 1.00 47.24 N ATOM 15943 CA SER C 247 19.348 27.272 41.934 1.00 47.24 C ATOM 15945 CB SER C 247 19.509 28.132 43.169 1.00 47.72 C ATOM 15948 OG SER C 247 19.430 29.494 42.810 1.00 53.48 O ATOM 15950 C SER C 247 20.563 27.421 41.042 1.00 47.61 C ATOM 15951 O SER C 247 20.552 28.143 40.030 1.00 48.26 O ATOM 15952 N ILE C 248 21.612 26.730 41.432 1.00 40.55 N ATOM 15954 CA ILE C 248 22.802 26.795 40.710 1.00 39.34 C ATOM 15956 CB ILE C 248 23.804 25.942 41.355 1.00 39.28 C ATOM 15958 CG1 ILE C 248 24.164 26.530 42.675 1.00 37.69 C ATOM 15961 CD1 ILE C 248 25.595 26.384 42.926 1.00 40.41 C ATOM 15965 CG2 ILE C 248 25.073 25.940 40.565 1.00 45.18 C ATOM 15969 C ILE C 248 22.498 26.311 39.348 1.00 47.60 C ATOM 15970 O ILE C 248 22.793 27.013 38.398 1.00 52.36 O ATOM 15971 N LYS C 249 21.894 25.118 39.244 1.00 54.81 N ATOM 15973 CA LYS C 249 21.619 24.488 37.939 1.00 52.55 C ATOM 15975 CB LYS C 249 20.735 23.263 38.079 1.00 55.84 C ATOM 15978 CG LYS C 249 21.397 21.980 38.542 1.00 60.75 C ATOM 15981 CD LYS C 249 20.426 20.783 38.337 1.00 63.48 C ATOM 15984 CE LYS C 249 20.792 19.557 39.172 1.00 67.61 C ATOM 15987 NZ LYS C 249 19.732 19.211 40.190 1.00 73.03 N ATOM 15991 C LYS C 249 20.837 25.463 37.110 1.00 51.86 C ATOM 15992 O LYS C 249 21.209 25.796 35.990 1.00 56.70 O ATOM 15993 N ALA C 250 19.737 25.924 37.683 1.00 44.72 N ATOM 15995 CA ALA C 250 18.871 26.855 36.999 1.00 43.29 C ATOM 15997 CB ALA C 250 17.850 27.442 37.977 1.00 38.29 C ATOM 16001 C ALA C 250 19.696 27.950 36.371 1.00 45.27 C ATOM 16002 O ALA C 250 19.535 28.253 35.199 1.00 46.37 O ATOM 16003 N ALA C 251 20.600 28.539 37.153 1.00 44.64 N ATOM 16005 CA ALA C 251 21.362 29.667 36.658 1.00 42.02 C ATOM 16007 CB ALA C 251 22.173 30.242 37.739 1.00 39.56 C ATOM 16011 C ALA C 251 22.237 29.272 35.492 1.00 44.55 C ATOM 16012 O ALA C 251 22.459 30.029 34.574 1.00 53.96 O ATOM 16013 N SER C 252 22.716 28.059 35.523 1.00 48.25 N ATOM 16015 CA SER C 252 23.581 27.567 34.487 1.00 50.72 C ATOM 16017 CB SER C 252 24.561 26.537 35.095 1.00 50.46 C ATOM 16020 OG SER C 252 24.087 26.053 36.372 1.00 50.66 O ATOM 16022 C SER C 252 22.746 26.890 33.427 1.00 51.45 C ATOM 16023 O SER C 252 23.305 26.186 32.595 1.00 54.49 O ATOM 16024 N SER C 253 21.428 27.104 33.448 1.00 52.44 N ATOM 16026 CA SER C 253 20.502 26.337 32.588 1.00 55.69 C ATOM 16028 CB SER C 253 19.025 26.589 32.995 1.00 58.26 C ATOM 16031 OG SER C 253 18.469 27.826 32.540 1.00 55.32 O ATOM 16033 C SER C 253 20.673 26.458 31.073 1.00 58.55 C ATOM 16034 O SER C 253 19.693 26.428 30.343 1.00 67.47 O ATOM 16035 N THR C 254 21.917 26.600 30.614 1.00 62.21 N ATOM 16037 CA THR C 254 22.258 26.667 29.181 1.00 64.73 C ATOM 16039 CB THR C 254 22.914 27.939 28.896 1.00 66.84 C ATOM 16041 OG1 THR C 254 24.215 27.899 29.500 1.00 71.03 O ATOM 16043 CG2 THR C 254 22.183 29.063 29.569 1.00 72.72 C ATOM 16047 C THR C 254 23.294 25.658 28.754 1.00 68.84 C ATOM 16048 O THR C 254 23.746 25.640 27.602 1.00 68.20 O ATOM 16049 N GLU C 255 23.714 24.865 29.712 1.00 69.98 N ATOM 16051 CA GLU C 255 24.513 23.729 29.447 1.00 69.15 C ATOM 16053 CB GLU C 255 25.990 23.900 29.778 1.00 69.01 C ATOM 16056 CG GLU C 255 26.765 24.517 28.627 1.00 73.89 C ATOM 16059 CD GLU C 255 28.135 23.893 28.412 1.00 80.19 C ATOM 16060 OE1 GLU C 255 28.259 22.606 28.391 1.00 77.88 O ATOM 16061 OE2 GLU C 255 29.078 24.723 28.256 1.00 75.03 O ATOM 16062 C GLU C 255 23.813 22.915 30.451 1.00 68.56 C ATOM 16063 O GLU C 255 23.260 23.424 31.432 1.00 63.70 O ATOM 16064 N LYS C 256 23.797 21.633 30.201 1.00 69.73 N ATOM 16066 CA LYS C 256 23.140 20.788 31.117 1.00 69.57 C ATOM 16068 CB LYS C 256 21.875 20.222 30.474 1.00 71.79 C ATOM 16071 CG LYS C 256 20.817 21.373 30.293 1.00 73.04 C ATOM 16074 CD LYS C 256 20.475 22.027 31.651 1.00 75.70 C ATOM 16077 CE LYS C 256 19.065 22.620 31.712 1.00 74.59 C ATOM 16080 NZ LYS C 256 18.582 23.111 30.395 1.00 76.39 N ATOM 16084 C LYS C 256 24.219 19.828 31.484 1.00 67.18 C ATOM 16085 O LYS C 256 25.204 19.623 30.763 1.00 58.20 O ATOM 16086 N PHE C 257 24.071 19.275 32.655 1.00 68.64 N ATOM 16088 CA PHE C 257 25.041 18.341 33.060 1.00 69.01 C ATOM 16090 CB PHE C 257 26.005 19.050 34.009 1.00 72.10 C ATOM 16093 CG PHE C 257 26.744 20.209 33.362 1.00 69.14 C ATOM 16094 CD1 PHE C 257 26.419 21.522 33.680 1.00 69.09 C ATOM 16096 CE1 PHE C 257 27.086 22.590 33.094 1.00 67.65 C ATOM 16098 CZ PHE C 257 28.091 22.354 32.180 1.00 71.28 C ATOM 16100 CE2 PHE C 257 28.431 21.043 31.849 1.00 72.57 C ATOM 16102 CD2 PHE C 257 27.755 19.980 32.439 1.00 71.04 C ATOM 16104 C PHE C 257 24.335 17.131 33.647 1.00 69.41 C ATOM 16105 O PHE C 257 23.173 17.187 34.100 1.00 68.36 O ATOM 16106 N PRO C 258 25.041 16.022 33.594 1.00 68.72 N ATOM 16107 CA PRO C 258 24.559 14.751 34.139 1.00 72.08 C ATOM 16109 CB PRO C 258 25.649 13.798 33.704 1.00 72.60 C ATOM 16112 CG PRO C 258 26.863 14.705 33.627 1.00 72.00 C ATOM 16115 CD PRO C 258 26.363 15.901 32.963 1.00 68.28 C ATOM 16118 C PRO C 258 24.507 14.757 35.662 1.00 74.57 C ATOM 16119 O PRO C 258 25.438 15.317 36.245 1.00 75.66 O ATOM 16120 N ASP C 259 23.479 14.151 36.272 1.00 75.85 N ATOM 16122 CA ASP C 259 23.355 14.015 37.747 1.00 77.50 C ATOM 16124 CB ASP C 259 22.436 12.845 38.118 1.00 77.91 C ATOM 16127 CG ASP C 259 20.964 13.134 37.904 1.00 80.16 C ATOM 16128 OD1 ASP C 259 20.559 14.322 37.914 1.00 84.49 O ATOM 16129 OD2 ASP C 259 20.138 12.206 37.727 1.00 74.07 O ATOM 16130 C ASP C 259 24.649 13.750 38.543 1.00 77.00 C ATOM 16131 O ASP C 259 24.727 14.079 39.732 1.00 79.56 O ATOM 16132 N GLY C 260 25.648 13.148 37.914 1.00 75.01 N ATOM 16134 CA GLY C 260 26.852 12.769 38.636 1.00 75.71 C ATOM 16137 C GLY C 260 27.782 13.929 38.922 1.00 74.37 C ATOM 16138 O GLY C 260 28.535 13.928 39.919 1.00 75.33 O ATOM 16139 N PHE C 261 27.730 14.918 38.035 1.00 69.34 N ATOM 16141 CA PHE C 261 28.550 16.095 38.171 1.00 62.53 C ATOM 16143 CB PHE C 261 28.341 17.037 36.990 1.00 63.25 C ATOM 16146 CG PHE C 261 29.079 18.334 37.098 1.00 57.93 C ATOM 16147 CD1 PHE C 261 30.455 18.360 37.184 1.00 55.84 C ATOM 16149 CE1 PHE C 261 31.129 19.557 37.281 1.00 55.60 C ATOM 16151 CZ PHE C 261 30.424 20.732 37.293 1.00 55.30 C ATOM 16153 CE2 PHE C 261 29.056 20.715 37.210 1.00 56.24 C ATOM 16155 CD2 PHE C 261 28.393 19.522 37.110 1.00 55.44 C ATOM 16157 C PHE C 261 28.026 16.693 39.413 1.00 58.82 C ATOM 16158 O PHE C 261 28.717 16.758 40.395 1.00 61.51 O ATOM 16159 N TRP C 262 26.772 17.095 39.384 1.00 58.00 N ATOM 16161 CA TRP C 262 26.179 17.725 40.536 1.00 59.65 C ATOM 16163 CB TRP C 262 24.722 18.071 40.271 1.00 64.16 C ATOM 16166 CG TRP C 262 24.498 19.084 39.179 1.00 67.86 C ATOM 16167 CD1 TRP C 262 23.762 18.900 38.046 1.00 69.53 C ATOM 16169 NE1 TRP C 262 23.775 20.038 37.278 1.00 70.01 N ATOM 16171 CE2 TRP C 262 24.527 20.992 37.910 1.00 68.68 C ATOM 16172 CD2 TRP C 262 24.995 20.427 39.113 1.00 67.00 C ATOM 16173 CE3 TRP C 262 25.793 21.210 39.941 1.00 69.48 C ATOM 16175 CZ3 TRP C 262 26.091 22.516 39.547 1.00 69.43 C ATOM 16177 CH2 TRP C 262 25.608 23.038 38.351 1.00 66.24 C ATOM 16179 CZ2 TRP C 262 24.830 22.295 37.520 1.00 66.76 C ATOM 16181 C TRP C 262 26.284 16.847 41.766 1.00 58.97 C ATOM 16182 O TRP C 262 26.059 17.301 42.869 1.00 57.31 O ATOM 16183 N LEU C 263 26.601 15.574 41.597 1.00 65.06 N ATOM 16185 CA LEU C 263 26.806 14.727 42.767 1.00 67.45 C ATOM 16187 CB LEU C 263 26.279 13.332 42.533 1.00 68.47 C ATOM 16190 CG LEU C 263 24.933 13.109 43.225 1.00 72.82 C ATOM 16192 CD1 LEU C 263 24.425 11.685 42.977 1.00 71.73 C ATOM 16196 CD2 LEU C 263 25.028 13.405 44.740 1.00 73.38 C ATOM 16200 C LEU C 263 28.268 14.668 43.160 1.00 70.29 C ATOM 16201 O LEU C 263 28.647 13.948 44.076 1.00 72.79 O ATOM 16202 N GLY C 264 29.083 15.429 42.449 1.00 70.41 N ATOM 16204 CA GLY C 264 30.488 15.522 42.741 1.00 72.58 C ATOM 16207 C GLY C 264 31.254 14.276 42.369 1.00 74.99 C ATOM 16208 O GLY C 264 32.427 14.136 42.728 1.00 77.68 O ATOM 16209 N GLY C 265 30.623 13.377 41.627 1.00 76.35 N ATOM 16211 CA GLU C 265 31.266 12.097 41.328 1.00 75.36 C ATOM 16213 CB GLU C 265 30.247 10.967 41.441 1.00 75.63 C ATOM 16216 CG GLU C 265 30.068 10.546 42.883 1.00 80.22 C ATOM 16219 CD GLU C 265 28.981 9.514 43.067 1.00 86.58 C ATOM 16220 OE1 GLU C 265 28.455 9.405 44.208 1.00 91.85 O ATOM 16221 OE2 GLU C 265 28.654 8.812 42.080 1.00 88.76 O ATOM 16222 C GLU C 265 31.978 12.017 39.999 1.00 73.02 C ATOM 16223 O GLU C 265 32.902 11.222 39.835 1.00 76.03 O ATOM 16224 N GLN C 266 31.566 12.831 39.048 1.00 72.24 N ATOM 16226 CA GLN C 266 32.162 12.771 37.730 1.00 73.00 C ATOM 16228 CB GLN C 266 31.280 12.063 36.723 1.00 75.94 C ATOM 16231 CG GLN C 266 29.788 12.214 36.972 1.00 81.31 C ATOM 16234 CD GLN C 266 29.003 11.021 36.409 1.00 87.99 C ATOM 16235 OE1 GLN C 266 28.246 10.351 37.140 1.00 89.26 O ATOM 16236 NE2 GLN C 266 29.191 10.748 35.112 1.00 87.50 N ATOM 16239 C GLN C 266 32.393 14.164 37.330 1.00 69.61 C ATOM 16240 O GLN C 266 31.739 15.075 37.808 1.00 71.73 O ATOM 16241 N LEU C 267 33.331 14.334 36.433 1.00 68.39 N ATOM 16243 CA LEU C 267 33.829 15.649 36.183 1.00 65.70 C ATOM 16245 CB LEU C 267 35.351 15.611 36.200 1.00 66.35 C ATOM 16248 CG LEU C 267 35.956 14.641 35.211 1.00 65.47 C ATOM 16250 CD1 LEU C 267 35.336 14.904 33.871 1.00 70.86 C ATOM 16254 CD2 LEU C 267 37.458 14.823 35.131 1.00 67.21 C ATOM 16258 C LEU C 267 33.306 16.140 34.883 1.00 66.62 C ATOM 16259 O LEU C 267 32.568 15.458 34.196 1.00 68.94 O ATOM 16260 N VAL C 268 33.695 17.344 34.540 1.00 68.75 N ATOM 16262 CA VAL C 268 33.215 17.954 33.335 1.00 69.12 C ATOM 16264 CB VAL C 268 32.183 19.052 33.644 1.00 65.32 C ATOM 16266 CG1 VAL C 268 31.593 19.635 32.397 1.00 67.75 C ATOM 16270 CG2 VAL C 268 31.078 18.451 34.429 1.00 67.90 C ATOM 16274 C VAL C 268 34.486 18.491 32.781 1.00 70.89 C ATOM 16275 O VAL C 268 35.439 18.735 33.524 1.00 77.01 O ATOM 16276 N CYS C 269 34.523 18.651 31.477 1.00 70.74 N ATOM 16278 CA CYS C 269 35.718 19.116 30.843 1.00 71.32 C ATOM 16280 CB CYS C 269 36.480 17.899 30.275 1.00 71.55 C ATOM 16283 SG CYS C 269 37.148 16.791 31.565 1.00 73.61 S ATOM 16284 C CYS C 269 35.301 20.102 29.776 1.00 69.44 C ATOM 16285 O CYS C 269 34.176 20.064 29.278 1.00 72.40 O ATOM 16286 N TRP C 270 36.213 20.994 29.444 1.00 68.17 N ATOM 16288 CA TRP C 270 35.995 21.964 28.382 1.00 68.38 C ATOM 16290 CB TRP C 270 35.565 23.322 28.933 1.00 68.67 C ATOM 16293 CG TRP C 270 34.140 23.496 29.291 1.00 62.51 C ATOM 16294 CD1 TRP C 270 33.089 23.710 28.443 1.00 63.68 C ATOM 16296 NE1 TRP C 270 31.925 23.859 29.159 1.00 67.43 N ATOM 16298 CE2 TRP C 270 32.215 23.737 30.491 1.00 63.27 C ATOM 16299 CD2 TRP C 270 33.602 23.513 30.605 1.00 55.28 C ATOM 16300 CE3 TRP C 270 34.151 23.368 31.866 1.00 54.22 C ATOM 16302 CZ3 TRP C 270 33.332 23.436 32.950 1.00 62.69 C ATOM 16304 CH2 TRP C 270 31.957 23.653 32.813 1.00 66.25 C ATOM 16306 CZ2 TRP C 270 31.382 23.807 31.588 1.00 62.56 C ATOM 16308 C TRP C 270 37.315 22.194 27.677 1.00 69.11 C ATOM 16309 O TRP C 270 38.364 22.221 28.317 1.00 70.17 O ATOM 16310 N GLN C 271 37.267 22.369 26.360 1.00 71.22 N ATOM 16312 CA GLN C 271 38.477 22.588 25.577 1.00 69.66 C ATOM 16314 CB GLN C 271 38.160 22.947 24.102 1.00 73.03 C ATOM 16317 CG GLN C 271 37.704 21.781 23.172 1.00 74.99 C ATOM 16320 CD GLN C 271 36.937 22.285 21.925 1.00 83.57 C ATOM 16321 OE1 GLN C 271 37.039 23.476 21.547 1.00 84.53 O ATOM 16322 NE2 GLN C 271 36.168 21.387 21.294 1.00 80.42 N ATOM 16325 C GLN C 271 39.156 23.760 26.217 1.00 68.22 C ATOM 16326 O GLN C 271 38.520 24.774 26.484 1.00 67.07 O ATOM 16327 N ALA C 272 40.440 23.630 26.477 1.00 71.24 N ATOM 16329 CA ALA C 272 41.238 24.745 26.979 1.00 74.33 C ATOM 16331 CB ALA C 272 42.541 24.817 26.195 1.00 74.83 C ATOM 16335 C ALA C 272 40.536 26.126 26.949 1.00 74.62 C ATOM 16336 O ALA C 272 39.503 26.332 26.311 1.00 71.88 O ATOM 16337 N GLY C 273 41.122 27.065 27.674 1.00 76.58 N ATOM 16339 CA GLY C 273 40.622 28.420 27.784 1.00 76.43 C ATOM 16342 C GLY C 273 39.135 28.692 27.603 1.00 77.74 C ATOM 16343 O GLY C 273 38.736 29.848 27.710 1.00 77.19 O ATOM 16344 N THR C 274 38.308 27.683 27.339 1.00 76.54 N ATOM 16346 CA THR C 274 36.906 27.955 27.012 1.00 76.18 C ATOM 16348 CB THR C 274 36.486 27.048 25.827 1.00 76.87 C ATOM 16350 OG1 THR C 274 36.826 25.697 26.109 1.00 74.47 O ATOM 16352 CG2 THR C 274 37.342 27.319 24.594 1.00 80.60 C ATOM 16356 C THR C 274 35.850 27.855 28.124 1.00 74.88 C ATOM 16357 O THR C 274 34.676 28.013 27.834 1.00 80.88 O ATOM 16358 N THR C 275 36.229 27.608 29.375 1.00 70.60 N ATOM 16360 CA THR C 275 35.217 27.451 30.431 1.00 64.63 C ATOM 16362 CB THR C 275 35.871 27.307 31.815 1.00 62.69 C ATOM 16364 OG1 THR C 275 36.891 26.304 31.783 1.00 58.88 O ATOM 16366 CG2 THR C 275 34.862 26.769 32.815 1.00 60.08 C ATOM 16370 C THR C 275 34.276 28.641 30.467 1.00 59.66 C ATOM 16371 O THR C 275 34.748 29.751 30.547 1.00 55.72 O ATOM 16372 N PRO C 276 32.960 28.443 30.415 1.00 56.44 N ATOM 16373 CA PRO C 276 32.060 29.588 30.442 1.00 55.38 C ATOM 16375 CB PRO C 276 30.771 28.992 29.922 1.00 57.23 C ATOM 16378 CG PRO C 276 30.763 27.713 30.617 1.00 56.39 C ATOM 16381 CD PRO C 276 32.182 27.190 30.320 1.00 57.95 C ATOM 16384 C PRO C 276 31.872 30.073 31.857 1.00 52.50 C ATOM 16385 O PRO C 276 30.764 30.068 32.414 1.00 56.88 O ATOM 16386 N TRP C 277 32.951 30.527 32.459 1.00 49.70 N ATOM 16388 CA TRP C 277 32.835 30.898 33.842 1.00 48.70 C ATOM 16390 CB TRP C 277 34.047 31.691 34.288 1.00 48.72 C ATOM 16393 CG TRP C 277 35.377 30.992 34.300 1.00 42.99 C ATOM 16394 CD1 TRP C 277 36.452 31.282 33.497 1.00 44.54 C ATOM 16396 NE1 TRP C 277 37.517 30.463 33.795 1.00 40.79 N ATOM 16398 CE2 TRP C 277 37.153 29.623 34.816 1.00 41.09 C ATOM 16399 CD2 TRP C 277 35.803 29.931 35.159 1.00 42.82 C ATOM 16400 CE3 TRP C 277 35.193 29.196 36.190 1.00 43.92 C ATOM 16402 CZ3 TRP C 277 35.938 28.193 36.833 1.00 34.69 C ATOM 16404 CH2 TRP C 277 37.274 27.915 36.441 1.00 31.59 C ATOM 16406 CZ2 TRP C 277 37.888 28.619 35.454 1.00 28.84 C ATOM 16408 C TRP C 277 31.559 31.719 34.043 1.00 50.14 C ATOM 16409 O TRP C 277 30.821 31.528 35.002 1.00 53.55 O ATOM 16410 N ASN C 278 31.287 32.633 33.120 1.00 53.60 N ATOM 16412 CA ASN C 278 30.173 33.561 33.273 1.00 50.74 C ATOM 16414 CB ASN C 278 30.280 34.662 32.191 1.00 54.60 C ATOM 16417 CG ASN C 278 29.472 34.370 30.928 1.00 57.61 C ATOM 16418 OD1 ASN C 278 28.305 34.753 30.826 1.00 62.78 O ATOM 16419 ND2 ASN C 278 30.101 33.723 29.951 1.00 50.67 N ATOM 16422 C ASN C 278 28.767 32.886 33.392 1.00 52.28 C ATOM 16423 O ASN C 278 27.865 33.415 34.082 1.00 46.13 O ATOM 16424 N ILE C 279 28.582 31.714 32.777 1.00 52.83 N ATOM 16426 CA ILE C 279 27.287 31.048 32.896 1.00 56.47 C ATOM 16428 CB ILE C 279 27.104 29.838 31.946 1.00 57.69 C ATOM 16430 CG1 ILE C 279 27.859 28.617 32.471 1.00 57.27 C ATOM 16433 CD1 ILE C 279 27.534 27.307 31.703 1.00 54.35 C ATOM 16437 CG2 ILE C 279 27.493 30.172 30.507 1.00 58.04 C ATOM 16441 C ILE C 279 27.047 30.544 34.300 1.00 57.88 C ATOM 16442 O ILE C 279 25.936 30.141 34.610 1.00 59.87 O ATOM 16443 N PHE C 280 28.078 30.544 35.144 1.00 56.99 N ATOM 16445 CA PHE C 280 27.934 30.040 36.500 1.00 51.07 C ATOM 16447 CB PHE C 280 29.142 29.215 36.869 1.00 54.92 C ATOM 16450 CG PHE C 280 29.180 27.861 36.227 1.00 51.56 C ATOM 16451 CD1 PHE C 280 28.625 26.777 36.852 1.00 48.09 C ATOM 16453 CE1 PHE C 280 28.675 25.583 36.298 1.00 46.71 C ATOM 16455 CZ PHE C 280 29.262 25.412 35.110 1.00 53.19 C ATOM 16457 CE2 PHE C 280 29.822 26.462 34.471 1.00 52.26 C ATOM 16459 CD2 PHE C 280 29.781 27.683 35.031 1.00 48.92 C ATOM 16461 C PHE C 280 27.888 31.203 37.432 1.00 48.27 C ATOM 16462 O PHE C 280 28.646 32.139 37.277 1.00 47.19 O ATOM 16463 N PRO C 281 27.031 31.141 38.427 1.00 45.62 N ATOM 16464 CA PRO C 281 26.801 32.279 39.285 1.00 47.19 C ATOM 16466 CB PRO C 281 25.373 32.029 39.741 1.00 48.28 C ATOM 16469 CG PRO C 281 25.269 30.542 39.864 1.00 44.59 C ATOM 16472 CD PRO C 281 26.237 29.991 38.869 1.00 48.35 C ATOM 16475 C PRO C 281 27.761 32.335 40.463 1.00 48.66 C ATOM 16476 O PRO C 281 28.525 31.410 40.674 1.00 56.99 O ATOM 16477 N VAL C 282 27.712 33.423 41.214 1.00 46.97 N ATOM 16479 CA VAL C 282 28.597 33.628 42.345 1.00 44.44 C ATOM 16481 CB VAL C 282 29.071 35.069 42.430 1.00 44.57 C ATOM 16483 CG1 VAL C 282 29.756 35.469 41.118 1.00 45.56 C ATOM 16487 CG2 VAL C 282 27.890 36.003 42.759 1.00 34.25 C ATOM 16491 C VAL C 282 27.739 33.349 43.545 1.00 45.50 C ATOM 16492 O VAL C 282 26.506 33.444 43.451 1.00 42.57 O ATOM 16493 N ILE C 283 28.375 33.027 44.664 1.00 38.05 N ATOM 16495 CA ILE C 283 27.636 32.624 45.821 1.00 39.60 C ATOM 16497 CB ILE C 283 27.997 31.210 46.205 1.00 42.77 C ATOM 16499 CG1 ILE C 283 27.296 30.218 45.282 1.00 45.31 C ATOM 16502 CD1 ILE C 283 28.010 28.859 45.202 1.00 51.32 C ATOM 16506 CG2 ILE C 283 27.494 30.935 47.573 1.00 48.65 C ATOM 16510 C ILE C 283 27.951 33.519 46.938 1.00 36.72 C ATOM 16511 O ILE C 283 29.060 33.947 47.071 1.00 39.41 O ATOM 16512 N SER C 284 26.964 33.814 47.765 1.00 43.61 N ATOM 16514 CA SER C 284 27.196 34.724 48.883 1.00 42.34 C ATOM 16516 CB SER C 284 26.479 36.048 48.680 1.00 40.69 C ATOM 16519 OG SER C 284 26.967 36.700 47.532 1.00 40.19 O ATOM 16521 C SER C 284 26.765 34.148 50.197 1.00 42.31 C ATOM 16522 O SER C 284 25.721 33.515 50.367 1.00 42.00 O ATOM 16523 N LEU C 285 27.605 34.361 51.159 1.00 40.93 N ATOM 16525 CA LEU C 285 27.239 33.946 52.450 1.00 40.64 C ATOM 16527 CB LEU C 285 28.263 32.934 52.951 1.00 43.13 C ATOM 16530 CG LEU C 285 28.493 31.677 52.107 1.00 43.50 C ATOM 16532 CD1 LEU C 285 29.160 30.630 52.986 1.00 45.83 C ATOM 16536 CD2 LEU C 285 27.224 31.096 51.550 1.00 47.33 C ATOM 16540 C LEU C 285 27.238 35.237 53.241 1.00 38.54 C ATOM 16541 O LEU C 285 28.192 36.012 53.142 1.00 38.71 O ATOM 16542 N TYR C 286 26.182 35.508 54.004 1.00 41.40 N ATOM 16544 CA TYR C 286 26.201 36.697 54.882 1.00 43.34 C ATOM 16546 CB TYR C 286 24.868 37.456 54.919 1.00 43.01 C ATOM 16549 CG TYR C 286 24.458 38.178 53.648 1.00 43.98 C ATOM 16550 CD1 TYR C 286 24.169 37.480 52.485 1.00 41.24 C ATOM 16552 CE1 TYR C 286 23.796 38.118 51.350 1.00 37.43 C ATOM 16554 CZ TYR C 286 23.683 39.479 51.318 1.00 38.55 C ATOM 16555 OH TYR C 286 23.279 40.098 50.129 1.00 31.80 O ATOM 16557 CE2 TYR C 286 23.950 40.197 52.451 1.00 36.26 C ATOM 16559 CD2 TYR C 286 24.331 39.541 53.615 1.00 41.46 C ATOM 16561 C TYR C 286 26.525 36.179 56.278 1.00 40.55 C ATOM 16562 O TYR C 286 25.810 35.340 56.792 1.00 35.99 O ATOM 16563 N LEU C 287 27.609 36.668 56.876 1.00 43.12 N ATOM 16565 CA LEU C 287 27.992 36.203 58.201 1.00 44.11 C ATOM 16567 CB LEU C 287 29.451 35.807 58.319 1.00 44.04 C ATOM 16570 CG LEU C 287 30.022 34.821 57.316 1.00 45.36 C ATOM 16572 CD1 LEU C 287 31.494 35.117 57.164 1.00 48.19 C ATOM 16576 CD2 LEU C 287 29.854 33.410 57.786 1.00 49.68 C ATOM 16580 C LEU C 287 27.750 37.322 59.116 1.00 41.05 C ATOM 16581 O LEU C 287 27.724 38.435 58.705 1.00 45.70 O ATOM 16582 N MET C 288 27.578 36.981 60.370 1.00 48.49 N ATOM 16584 CA MET C 288 27.201 37.884 61.414 1.00 50.98 C ATOM 16586 CB MET C 288 26.743 37.033 62.614 1.00 53.16 C ATOM 16589 CG MET C 288 26.255 37.824 63.814 1.00 59.82 C ATOM 16592 SD MET C 288 25.588 36.852 65.181 1.00 66.84 S ATOM 16593 CE MET C 288 24.400 35.852 64.340 1.00 65.00 C ATOM 16597 C MET C 288 28.448 38.645 61.724 1.00 52.60 C ATOM 16598 O MET C 288 29.541 38.109 61.660 1.00 49.84 O ATOM 16599 N GLY C 289 28.298 39.906 62.056 1.00 53.80 N ATOM 16601 CA GLY C 289 29.458 40.726 62.323 1.00 53.77 C ATOM 16604 C GLY C 289 29.552 41.029 63.794 1.00 52.86 C ATOM 16605 O GLY C 289 28.759 40.561 64.560 1.00 55.64 O ATOM 16606 N GLU C 290 30.527 41.828 64.185 1.00 59.63 N ATOM 16608 CA GLU C 290 30.713 42.194 65.586 1.00 62.62 C ATOM 16610 CB GLU C 290 32.131 42.676 65.770 1.00 61.72 C ATOM 16613 CG GLU C 290 33.118 41.620 65.403 1.00 56.49 C ATOM 16616 CD GLU C 290 34.316 41.728 66.263 1.00 62.75 C ATOM 16617 OE1 GLU C 290 35.173 42.598 65.952 1.00 66.45 O ATOM 16618 OE2 GLU C 290 34.368 40.951 67.245 1.00 58.63 O ATOM 16619 C GLU C 290 29.799 43.253 66.185 1.00 66.84 C ATOM 16620 O GLU C 290 29.553 43.241 67.411 1.00 65.72 O ATOM 16621 N VAL C 291 29.309 44.171 65.356 1.00 71.13 N ATOM 16623 CA VAL C 291 28.433 45.221 65.869 1.00 74.55 C ATOM 16625 CB VAL C 291 28.539 46.525 65.086 1.00 76.24 C ATOM 16627 CG1 VAL C 291 27.577 47.563 65.658 1.00 76.47 C ATOM 16631 CG2 VAL C 291 29.953 47.059 65.150 1.00 81.20 C ATOM 16635 C VAL C 291 27.003 44.778 65.840 1.00 75.19 C ATOM 16636 O VAL C 291 26.553 44.138 64.875 1.00 76.87 O ATOM 16637 N THR C 292 26.299 45.129 66.912 1.00 76.63 N ATOM 16639 CA THR C 292 24.884 44.803 67.090 1.00 78.73 C ATOM 16641 CB THR C 292 24.380 45.595 68.298 1.00 79.80 C ATOM 16643 OG1 THR C 292 25.508 46.083 69.035 1.00 83.48 O ATOM 16645 CG2 THR C 292 23.660 44.683 69.301 1.00 82.75 C ATOM 16649 C THR C 292 24.039 45.118 65.842 1.00 78.20 C ATOM 16650 O THR C 292 24.152 46.206 65.281 1.00 76.52 O ATOM 16651 N GLN C 293 23.212 44.153 65.414 1.00 77.10 N ATOM 16653 CA GLN C 293 22.352 44.280 64.223 1.00 73.84 C ATOM 16655 CB GLN C 293 21.520 45.562 64.352 1.00 79.00 C ATOM 16658 CG GLN C 293 20.073 45.347 64.881 1.00 85.11 C ATOM 16661 CD GLN C 293 19.749 46.139 66.165 1.00 87.31 C ATOM 16662 OE1 GLN C 293 18.960 45.672 67.007 1.00 85.12 O ATOM 16663 NE2 GLN C 293 20.347 47.329 66.308 1.00 86.21 N ATOM 16666 C GLN C 293 23.045 44.268 62.842 1.00 65.85 C ATOM 16667 O GLN C 293 22.370 44.359 61.822 1.00 63.96 O ATOM 16668 N GLN C 294 24.366 44.120 62.803 1.00 66.61 N ATOM 16670 CA GLN C 294 25.141 44.364 61.580 1.00 61.35 C ATOM 16672 CB GLN C 294 26.324 45.288 61.936 1.00 60.41 C ATOM 16675 CG GLN C 294 26.837 46.202 60.839 1.00 62.21 C ATOM 16678 CD GLN C 294 27.669 47.413 61.365 1.00 65.59 C ATOM 16679 OE1 GLN C 294 28.765 47.713 60.847 1.00 59.99 O ATOM 16680 NE2 GLN C 294 27.138 48.107 62.373 1.00 65.49 N ATOM 16683 C GLN C 294 25.627 43.036 60.985 1.00 56.94 C ATOM 16684 O GLN C 294 25.912 42.085 61.710 1.00 58.82 O ATOM 16685 N SER C 295 25.718 42.958 59.668 1.00 46.60 N ATOM 16687 CA SER C 295 26.213 41.760 59.056 1.00 42.55 C ATOM 16689 CB SER C 295 25.079 40.909 58.628 1.00 40.84 C ATOM 16692 OG SER C 295 24.697 41.439 57.411 1.00 43.82 O ATOM 16694 C SER C 295 26.965 42.103 57.806 1.00 44.01 C ATOM 16695 O SER C 295 26.877 43.217 57.316 1.00 41.78 O ATOM 16696 N PHE C 296 27.688 41.133 57.260 1.00 40.42 N ATOM 16698 CA PHE C 296 28.455 41.395 56.077 1.00 40.53 C ATOM 16700 CB PHE C 296 29.870 41.876 56.413 1.00 42.71 C ATOM 16703 CG PHE C 296 30.782 40.825 56.974 1.00 40.05 C ATOM 16704 CD1 PHE C 296 31.588 40.081 56.147 1.00 43.51 C ATOM 16706 CE1 PHE C 296 32.406 39.148 56.647 1.00 36.06 C ATOM 16708 CZ PHE C 296 32.443 38.940 58.011 1.00 42.47 C ATOM 16710 CE2 PHE C 296 31.674 39.657 58.822 1.00 37.71 C ATOM 16712 CD2 PHE C 296 30.848 40.602 58.315 1.00 37.78 C ATOM 16714 C PHE C 296 28.455 40.127 55.332 1.00 42.08 C ATOM 16715 O PHE C 296 28.030 39.122 55.906 1.00 46.21 O ATOM 16716 N ARG C 297 28.908 40.167 54.070 1.00 40.78 N ATOM 16718 CA ARG C 297 28.958 38.974 53.211 1.00 44.56 C ATOM 16720 CB ARG C 297 27.894 39.031 52.123 1.00 44.33 C ATOM 16723 CG ARG C 297 28.197 40.056 51.064 1.00 50.40 C ATOM 16726 CD ARG C 297 27.009 40.427 50.181 1.00 54.77 C ATOM 16729 NE ARG C 297 27.370 41.445 49.195 1.00 56.04 N ATOM 16731 CZ ARG C 297 26.505 42.187 48.535 1.00 50.69 C ATOM 16732 NH1 ARG C 297 25.204 42.040 48.732 1.00 51.47 N ATOM 16735 NH2 ARG C 297 26.946 43.079 47.677 1.00 46.53 N ATOM 16738 C ARG C 297 30.273 38.740 52.498 1.00 42.25 C ATOM 16739 O ARG C 297 31.035 39.648 52.215 1.00 47.66 O ATOM 16740 N ILE C 298 30.518 37.488 52.194 1.00 41.06 N ATOM 16742 CA ILE C 298 31.679 37.115 51.439 1.00 41.71 C ATOM 16744 CB ILE C 298 32.517 36.104 52.264 1.00 38.04 C ATOM 16746 CG1 ILE C 298 31.858 34.741 52.331 1.00 39.06 C ATOM 16749 CD1 ILE C 298 32.459 33.774 53.357 1.00 42.84 C ATOM 16753 CG2 ILE C 298 32.654 36.628 53.672 1.00 37.72 C ATOM 16757 C ILE C 298 31.051 36.559 50.189 1.00 36.43 C ATOM 16758 O ILE C 298 29.989 35.993 50.268 1.00 39.29 O ATOM 16759 N THR C 299 31.675 36.727 49.041 1.00 41.37 N ATOM 16761 CA THR C 299 31.098 36.225 47.769 1.00 42.98 C ATOM 16763 CB THR C 299 30.626 37.411 46.893 1.00 44.37 C ATOM 16765 OG1 THR C 299 30.064 38.411 47.749 1.00 48.01 O ATOM 16767 CG2 THR C 299 29.455 37.062 45.991 1.00 45.15 C ATOM 16771 C THR C 299 32.163 35.478 47.050 1.00 38.51 C ATOM 16772 O THR C 299 33.282 35.947 46.931 1.00 38.31 O ATOM 16773 N ILE C 300 31.834 34.309 46.557 1.00 40.54 N ATOM 16775 CA ILE C 300 32.849 33.494 45.920 1.00 40.34 C ATOM 16777 CB ILE C 300 33.019 32.177 46.685 1.00 40.87 C ATOM 16779 CG1 ILE C 300 32.051 31.162 46.204 1.00 34.13 C ATOM 16782 CD1 ILE C 300 32.254 29.851 46.922 1.00 36.30 C ATOM 16786 CG2 ILE C 300 32.721 32.317 48.186 1.00 44.16 C ATOM 16790 C ILE C 300 32.440 33.216 44.505 1.00 40.76 C ATOM 16791 O ILE C 300 31.254 33.277 44.220 1.00 39.41 O ATOM 16792 N LEU C 301 33.426 32.905 43.645 1.00 44.04 N ATOM 16794 CA LEU C 301 33.215 32.633 42.210 1.00 45.48 C ATOM 16796 CB LEU C 301 34.199 33.429 41.340 1.00 47.46 C ATOM 16799 CG LEU C 301 34.544 34.876 41.679 1.00 50.30 C ATOM 16801 CD1 LEU C 301 35.649 35.402 40.734 1.00 51.91 C ATOM 16805 CD2 LEU C 301 33.312 35.727 41.580 1.00 48.11 C ATOM 16809 C LEU C 301 33.338 31.183 41.734 1.00 46.00 C ATOM 16810 O LEU C 301 33.844 30.283 42.386 1.00 40.23 O ATOM 16811 N PRO C 302 32.905 30.973 40.516 1.00 47.02 N ATOM 16812 CA PRO C 302 32.898 29.626 39.965 1.00 45.68 C ATOM 16814 CB PRO C 302 32.276 29.806 38.584 1.00 43.48 C ATOM 16817 CG PRO C 302 31.796 31.181 38.541 1.00 45.27 C ATOM 16820 CD PRO C 302 32.456 31.994 39.567 1.00 42.09 C ATOM 16823 C PRO C 302 34.331 29.104 39.891 1.00 48.54 C ATOM 16824 O PRO C 302 34.534 27.886 39.845 1.00 49.42 O ATOM 16825 N GLN C 303 35.309 30.014 39.873 1.00 47.34 N ATOM 16827 CA GLN C 303 36.708 29.610 39.973 1.00 47.58 C ATOM 16829 CB GLN C 303 37.637 30.790 39.736 1.00 47.37 C ATOM 16832 CG GLN C 303 37.910 31.131 38.293 1.00 45.62 C ATOM 16835 CD GLN C 303 36.936 32.113 37.717 1.00 45.06 C ATOM 16836 OE1 GLN C 303 35.838 32.299 38.244 1.00 37.43 O ATOM 16837 NE2 GLN C 303 37.334 32.747 36.617 1.00 50.52 N ATOM 16840 C GLN C 303 37.068 28.996 41.346 1.00 49.02 C ATOM 16841 O GLN C 303 38.159 28.473 41.514 1.00 51.60 O ATOM 16842 N GLN C 304 36.169 29.052 42.316 1.00 49.47 N ATOM 16844 CA GLN C 304 36.438 28.475 43.616 1.00 50.38 C ATOM 16846 CB GLN C 304 36.269 29.511 44.737 1.00 52.45 C ATOM 16849 CG GLN C 304 37.510 30.399 44.949 1.00 50.66 C ATOM 16852 CD GLN C 304 37.438 31.671 44.151 1.00 51.45 C ATOM 16853 OE1 GLN C 304 38.235 31.881 43.210 1.00 51.29 O ATOM 16854 NE2 GLN C 304 36.484 32.532 44.509 1.00 40.58 N ATOM 16857 C GLN C 304 35.606 27.249 43.939 1.00 51.95 C ATOM 16858 O GLN C 304 36.120 26.322 44.554 1.00 55.44 O ATOM 16859 N TYR C 305 34.328 27.212 43.574 1.00 56.29 N ATOM 16861 CA TYR C 305 33.569 25.956 43.788 1.00 52.77 C ATOM 16863 CB TYR C 305 32.064 26.151 44.100 1.00 50.80 C ATOM 16866 CG TYR C 305 31.206 26.929 43.131 1.00 44.82 C ATOM 16867 CD1 TYR C 305 30.417 26.271 42.212 1.00 44.88 C ATOM 16869 CE1 TYR C 305 29.642 26.928 41.352 1.00 35.09 C ATOM 16871 CZ TYR C 305 29.594 28.271 41.368 1.00 36.83 C ATOM 16872 OH TYR C 305 28.748 28.910 40.445 1.00 41.33 O ATOM 16874 CE2 TYR C 305 30.352 28.964 42.269 1.00 37.21 C ATOM 16876 CD2 TYR C 305 31.149 28.290 43.155 1.00 38.78 C ATOM 16878 C TYR C 305 33.788 24.886 42.730 1.00 51.03 C ATOM 16879 O TYR C 305 33.369 23.774 42.952 1.00 53.32 O ATOM 16880 N LEU C 306 34.465 25.192 41.618 1.00 52.84 N ATOM 16882 CA LEU C 306 34.720 24.182 40.568 1.00 52.04 C ATOM 16884 CB LEU C 306 34.395 24.713 39.181 1.00 54.77 C ATOM 16887 CG LEU C 306 32.909 24.805 38.761 1.00 51.54 C ATOM 16889 CD1 LEU C 306 32.752 25.575 37.502 1.00 44.63 C ATOM 16893 CD2 LEU C 306 32.350 23.442 38.555 1.00 52.67 C ATOM 16897 C LEU C 306 36.187 23.850 40.620 1.00 56.99 C ATOM 16898 O LEU C 306 37.008 24.666 40.199 1.00 57.98 O ATOM 16899 N ARG C 307 36.518 22.648 41.110 1.00 54.03 N ATOM 16901 CA ARG C 307 37.888 22.323 41.457 1.00 54.93 C ATOM 16903 CB ARG C 307 37.877 21.401 42.707 1.00 50.67 C ATOM 16906 CG ARG C 307 39.207 20.794 43.096 1.00 51.43 C ATOM 16909 CD ARG C 307 39.237 20.023 44.478 1.00 52.58 C ATOM 16912 NE ARG C 307 38.527 18.734 44.515 1.00 50.63 N ATOM 16914 CZ ARG C 307 38.946 17.609 43.939 1.00 47.81 C ATOM 16915 NH1 ARG C 307 40.080 17.545 43.245 1.00 43.86 N ATOM 16918 NH2 ARG C 307 38.217 16.525 44.053 1.00 50.54 N ATOM 16921 C ARG C 307 38.629 21.735 40.241 1.00 58.15 C ATOM 16922 O ARG C 307 38.176 20.778 39.624 1.00 66.15 O ATOM 16923 N PRO C 308 39.755 22.318 39.870 1.00 59.79 N ATOM 16924 CA PRO C 308 40.546 21.788 38.744 1.00 59.10 C ATOM 16926 CB PRO C 308 41.640 22.856 38.523 1.00 56.70 C ATOM 16929 CG PRO C 308 41.396 23.964 39.500 1.00 56.84 C ATOM 16932 CD PRO C 308 40.358 23.515 40.488 1.00 59.81 C ATOM 16935 C PRO C 308 41.210 20.429 39.057 1.00 57.82 C ATOM 16936 O PRO C 308 41.842 20.326 40.111 1.00 54.21 O ATOM 16937 N VAL C 309 41.077 19.441 38.160 1.00 58.91 N ATOM 16939 CA VAL C 309 41.652 18.095 38.319 1.00 63.76 C ATOM 16941 CB VAL C 309 40.551 17.114 38.722 1.00 65.79 C ATOM 16943 CG1 VAL C 309 39.588 17.770 39.716 1.00 66.84 C ATOM 16947 CG2 VAL C 309 39.779 16.616 37.484 1.00 67.52 C ATOM 16951 C VAL C 309 42.356 17.527 37.044 1.00 69.36 C ATOM 16952 O VAL C 309 42.656 18.262 36.125 1.00 69.68 O ATOM 16953 N GLU C 310 42.636 16.222 37.004 1.00 77.12 N ATOM 16955 CA GLU C 310 43.239 15.577 35.811 1.00 82.03 C ATOM 16957 CB GLU C 310 44.374 14.638 36.233 1.00 81.97 C ATOM 16960 CG GLU C 310 45.621 15.401 36.593 1.00 81.89 C ATOM 16963 CD GLU C 310 45.544 16.821 36.063 1.00 80.73 C ATOM 16964 OE1 GLU C 310 45.101 17.697 36.831 1.00 76.33 O ATOM 16965 OE2 GLU C 310 45.908 17.048 34.889 1.00 75.15 O ATOM 16966 C GLU C 310 42.302 14.768 34.903 1.00 87.34 C ATOM 16967 O GLU C 310 41.793 13.708 35.306 1.00 84.75 O ATOM 16968 N ASP C 311 42.089 15.239 33.670 1.00 93.03 N ATOM 16970 CA ASP C 311 41.249 14.483 32.746 1.00 97.25 C ATOM 16972 CB ASP C 311 41.259 15.044 31.311 1.00 99.29 C ATOM 16975 CG ASP C 311 40.444 14.163 30.329 1.00 101.77 C ATOM 16976 OD1 ASP C 311 40.021 13.036 30.712 1.00 101.63 O ATOM 16977 OD2 ASP C 311 40.179 14.507 29.156 1.00 96.73 O ATOM 16978 C ASP C 311 41.744 13.036 32.777 1.00 98.09 C ATOM 16979 O ASP C 311 42.917 12.770 33.052 1.00 98.48 O ATOM 16980 N VAL C 312 40.840 12.109 32.493 1.00 100.23 N ATOM 16982 CA VAL C 312 41.132 10.686 32.624 1.00 101.33 C ATOM 16984 CB VAL C 312 39.948 9.830 32.120 1.00 101.66 C ATOM 16986 CG1 VAL C 312 40.264 8.348 32.290 1.00 102.68 C ATOM 16990 CG2 VAL C 312 38.650 10.202 32.861 1.00 100.40 C ATOM 16994 C VAL C 312 42.428 10.292 31.906 1.00 101.68 C ATOM 16995 O VAL C 312 43.435 9.972 32.560 1.00 102.27 O ATOM 16996 N ALA C 313 42.397 10.320 30.571 1.00 99.43 N ATOM 16998 CA ALA C 313 43.564 9.986 29.760 1.00 96.81 C ATOM 17000 CB ALA C 313 43.127 9.454 28.395 1.00 95.91 C ATOM 17004 C ALA C 313 44.444 11.222 29.625 1.00 96.79 C ATOM 17005 O ALA C 313 45.096 11.442 28.606 1.00 98.26 O ATOM 17006 N THR C 314 44.434 12.009 30.703 1.00 97.05 N ATOM 17008 CA THR C 314 45.147 13.297 30.885 1.00 96.61 C ATOM 17010 CB THR C 314 46.635 12.993 31.175 1.00 95.85 C ATOM 17012 OG1 THR C 314 47.210 12.241 30.101 1.00 94.24 O ATOM 17014 CG2 THR C 314 46.755 12.067 32.397 1.00 97.66 C ATOM 17018 C THR C 314 45.031 14.507 29.891 1.00 97.32 C ATOM 17019 O THR C 314 45.827 15.447 29.999 1.00 99.24 O ATOM 17020 N SER C 315 44.056 14.526 28.976 1.00 94.94 N ATOM 17022 CA SER C 315 43.911 15.601 27.933 1.00 94.95 C ATOM 17024 CB SER C 315 42.513 15.511 27.298 1.00 94.81 C ATOM 17027 OG SER C 315 42.361 16.442 26.233 1.00 93.24 O ATOM 17029 C SER C 315 44.158 17.114 28.237 1.00 93.29 C ATOM 17030 O SER C 315 44.341 17.532 29.385 1.00 90.39 O ATOM 17031 N GLN C 316 44.140 17.903 27.154 1.00 92.77 N ATOM 17033 CA GLN C 316 44.289 19.362 27.190 1.00 93.00 C ATOM 17035 CB GLN C 316 45.171 19.847 26.011 1.00 91.78 C ATOM 17038 CG GLN C 316 46.679 19.416 26.098 1.00 93.54 C ATOM 17041 CD GLN C 316 47.522 19.699 24.810 1.00 93.70 C ATOM 17042 OE1 GLN C 316 47.456 20.789 24.226 1.00 91.79 O ATOM 17043 NE2 GLN C 316 48.314 18.712 24.392 1.00 88.27 N ATOM 17046 C GLN C 316 42.911 20.123 27.252 1.00 92.97 C ATOM 17047 O GLN C 316 42.855 21.333 27.012 1.00 97.12 O ATOM 17048 N ASP C 317 41.813 19.414 27.541 1.00 88.86 N ATOM 17050 CA ASP C 317 40.545 20.057 27.925 1.00 85.72 C ATOM 17052 CB ASP C 317 39.341 19.120 27.813 1.00 89.42 C ATOM 17055 CG ASP C 317 39.375 18.237 26.588 1.00 93.20 C ATOM 17056 OD1 ASP C 317 39.976 18.629 25.560 1.00 97.12 O ATOM 17057 OD2 ASP C 317 38.806 17.125 26.583 1.00 93.67 O ATOM 17058 C ASP C 317 40.650 20.378 29.414 1.00 81.00 C ATOM 17059 O ASP C 317 41.068 19.527 30.190 1.00 76.59 O ATOM 17060 N ASP C 318 40.260 21.571 29.843 1.00 76.29 N ATOM 17062 CA ASP C 318 40.389 21.894 31.257 1.00 69.79 C ATOM 17064 CB ASP C 318 40.429 23.405 31.434 1.00 70.73 C ATOM 17067 CG ASP C 318 41.656 24.001 30.798 1.00 75.33 C ATOM 17068 OD1 ASP C 318 41.776 25.257 30.699 1.00 80.77 O ATOM 17069 OD2 ASP C 318 42.561 23.260 30.360 1.00 79.35 O ATOM 17070 C ASP C 318 39.268 21.199 32.037 1.00 63.07 C ATOM 17071 O ASP C 318 38.103 21.409 31.755 1.00 54.32 O ATOM 17072 N CYS C 319 39.624 20.356 33.005 1.00 61.35 N ATOM 17074 CA CYS C 319 38.611 19.604 33.753 1.00 62.73 C ATOM 17076 CB CYS C 319 39.002 18.138 33.789 1.00 67.00 C ATOM 17079 SG CYS C 319 39.025 17.347 32.147 1.00 71.83 S ATOM 17080 C CYS C 319 38.309 20.122 35.176 1.00 60.27 C ATOM 17081 O CYS C 319 39.157 20.741 35.825 1.00 57.82 O ATOM 17082 N TYR C 320 37.089 19.870 35.652 1.00 53.68 N ATOM 17084 CA TYR C 320 36.675 20.393 36.939 1.00 49.77 C ATOM 17086 CB TYR C 320 35.945 21.709 36.677 1.00 50.01 C ATOM 17089 CG TYR C 320 36.861 22.674 35.958 1.00 48.43 C ATOM 17090 CD1 TYR C 320 36.774 22.878 34.601 1.00 45.90 C ATOM 17092 CE1 TYR C 320 37.633 23.740 33.956 1.00 45.11 C ATOM 17094 CZ TYR C 320 38.584 24.406 34.665 1.00 42.05 C ATOM 17095 OH TYR C 320 39.464 25.286 34.063 1.00 41.52 O ATOM 17097 CE2 TYR C 320 38.678 24.213 36.008 1.00 49.88 C ATOM 17099 CD2 TYR C 320 37.824 23.357 36.645 1.00 48.03 C ATOM 17101 C TYR C 320 35.796 19.427 37.713 1.00 50.65 C ATOM 17102 O TYR C 320 35.243 18.517 37.104 1.00 50.64 O ATOM 17103 N LYS C 321 35.681 19.611 39.042 1.00 48.99 N ATOM 17105 CA LYS C 321 34.718 18.851 39.874 1.00 48.57 C ATOM 17107 CB LYS C 321 35.394 17.846 40.803 1.00 51.22 C ATOM 17110 CG LYS C 321 35.994 16.592 40.130 1.00 59.14 C ATOM 17113 CD LYS C 321 36.034 15.363 41.092 1.00 60.36 C ATOM 17116 CE LYS C 321 36.528 14.083 40.379 1.00 61.02 C ATOM 17119 NZ LYS C 321 36.887 12.972 41.327 1.00 60.51 N ATOM 17123 C LYS C 321 33.894 19.787 40.756 1.00 43.89 C ATOM 17124 O LYS C 321 34.388 20.685 41.391 1.00 48.32 O ATOM 17125 N PHE C 322 32.614 19.570 40.806 1.00 45.71 N ATOM 17127 CA PHE C 322 31.772 20.381 41.647 1.00 45.11 C ATOM 17129 CB PHE C 322 30.325 19.886 41.516 1.00 39.38 C ATOM 17132 CG PHE C 322 29.275 20.890 41.937 1.00 47.52 C ATOM 17133 CD1 PHE C 322 29.280 22.186 41.454 1.00 52.42 C ATOM 17135 CE1 PHE C 322 28.318 23.066 41.839 1.00 46.38 C ATOM 17137 CZ PHE C 322 27.334 22.671 42.708 1.00 41.85 C ATOM 17139 CE2 PHE C 322 27.315 21.436 43.176 1.00 38.98 C ATOM 17141 CD2 PHE C 322 28.266 20.535 42.801 1.00 38.92 C ATOM 17143 C PHE C 322 32.331 20.143 43.041 1.00 46.56 C ATOM 17144 O PHE C 322 32.334 18.998 43.496 1.00 55.34 O ATOM 17145 N ALA C 323 32.827 21.180 43.713 1.00 40.68 N ATOM 17147 CA ALA C 323 33.267 21.030 45.100 1.00 36.91 C ATOM 17149 CB ALA C 323 34.573 21.721 45.298 1.00 40.42 C ATOM 17153 C ALA C 323 32.266 21.542 46.125 1.00 36.58 C ATOM 17154 O ALA C 323 32.636 22.208 47.080 1.00 37.20 O ATOM 17155 N ILE C 324 30.989 21.267 45.943 1.00 37.33 N ATOM 17157 CA ILE C 324 30.015 21.630 46.965 1.00 36.19 C ATOM 17159 CB ILE C 324 29.023 22.599 46.424 1.00 39.76 C ATOM 17161 CG1 ILE C 324 29.739 23.761 45.817 1.00 38.88 C ATOM 17164 CD1 ILE C 324 28.812 24.873 45.598 1.00 45.35 C ATOM 17168 CG2 ILE C 324 28.083 23.152 47.527 1.00 42.74 C ATOM 17172 C ILE C 324 29.353 20.321 47.267 1.00 41.52 C ATOM 17173 O ILE C 324 29.381 19.453 46.389 1.00 48.29 O ATOM 17174 N SER C 325 28.788 20.145 48.473 1.00 43.90 N ATOM 17176 CA SER C 325 28.161 18.864 48.868 1.00 44.02 C ATOM 17178 CB SER C 325 29.154 17.696 48.881 1.00 45.54 C ATOM 17181 OG SER C 325 30.435 18.073 49.334 1.00 56.81 O ATOM 17183 C SER C 325 27.410 18.846 50.181 1.00 49.43 C ATOM 17184 O SER C 325 27.528 19.750 51.015 1.00 54.04 O ATOM 17185 N GLN C 326 26.624 17.786 50.339 1.00 55.37 N ATOM 17187 CA GLN C 326 25.797 17.593 51.509 1.00 59.34 C ATOM 17189 CB GLN C 326 24.512 16.803 51.166 1.00 62.25 C ATOM 17192 CG GLN C 326 24.703 15.342 50.735 1.00 66.34 C ATOM 17195 CD GLN C 326 23.421 14.731 50.154 1.00 73.31 C ATOM 17196 OE1 GLN C 326 22.481 14.464 50.899 1.00 75.42 O ATOM 17197 NE2 GLN C 326 23.388 14.511 48.826 1.00 73.17 N ATOM 17200 C GLN C 326 26.568 16.965 52.682 1.00 60.65 C ATOM 17201 O GLN C 326 27.603 16.287 52.522 1.00 58.34 O ATOM 17202 N SER C 327 26.017 17.211 53.862 1.00 60.79 N ATOM 17204 CA SER C 327 26.599 16.804 55.118 1.00 58.82 C ATOM 17206 CB SER C 327 27.625 17.830 55.574 1.00 59.51 C ATOM 17209 OG SER C 327 27.685 17.900 57.003 1.00 64.04 O ATOM 17211 C SER C 327 25.482 16.698 56.153 1.00 58.47 C ATOM 17212 O SER C 327 24.390 17.271 56.006 1.00 55.40 O ATOM 17213 N SER C 328 25.771 15.949 57.197 1.00 56.87 N ATOM 17215 CA SER C 328 24.812 15.697 58.242 1.00 55.69 C ATOM 17217 CB SER C 328 24.601 14.209 58.396 1.00 56.03 C ATOM 17220 OG SER C 328 25.854 13.578 58.688 1.00 57.06 O ATOM 17222 C SER C 328 25.423 16.268 59.490 1.00 57.40 C ATOM 17223 O SER C 328 24.834 16.198 60.576 1.00 60.77 O ATOM 17224 N THR C 329 26.615 16.839 59.341 1.00 53.35 N ATOM 17226 CA THR C 329 27.213 17.541 60.450 1.00 51.27 C ATOM 17228 CB THR C 329 28.454 16.818 60.897 1.00 51.43 C ATOM 17230 OG1 THR C 329 29.278 16.560 59.768 1.00 42.60 O ATOM 17232 CG2 THR C 329 28.078 15.427 61.365 1.00 56.80 C ATOM 17236 C THR C 329 27.466 19.007 60.149 1.00 48.82 C ATOM 17237 O THR C 329 28.537 19.544 60.411 1.00 59.16 O ATOM 17238 N GLY C 330 26.450 19.642 59.581 1.00 46.96 N ATOM 17240 CA GLY C 330 26.372 21.083 59.478 1.00 34.71 C ATOM 17243 C GLY C 330 27.118 21.538 58.279 1.00 32.91 C ATOM 17244 O GLY C 330 27.478 20.707 57.498 1.00 31.32 O ATOM 17245 N THR C 331 27.331 22.847 58.173 1.00 38.41 N ATOM 17247 CA THR C 331 28.081 23.522 57.123 1.00 40.14 C ATOM 17249 CB THR C 331 27.719 25.039 57.137 1.00 44.49 C ATOM 17251 OG1 THR C 331 26.332 25.263 56.874 1.00 47.97 O ATOM 17253 CG2 THR C 331 28.457 25.793 56.054 1.00 45.87 C ATOM 17257 C THR C 331 29.560 23.524 57.507 1.00 43.45 C ATOM 17258 O THR C 331 29.904 23.749 58.675 1.00 41.19 O ATOM 17259 N VAL C 332 30.416 23.306 56.515 1.00 39.96 N ATOM 17261 CA VAL C 332 31.828 23.320 56.680 1.00 35.05 C ATOM 17263 CB VAL C 332 32.397 21.988 56.442 1.00 34.40 C ATOM 17265 CG1 VAL C 332 33.907 22.017 56.732 1.00 32.26 C ATOM 17269 CG2 VAL C 332 31.704 21.009 57.307 1.00 35.49 C ATOM 17273 C VAL C 332 32.330 24.187 55.583 1.00 41.57 C ATOM 17274 O VAL C 332 32.169 23.850 54.413 1.00 41.46 O ATOM 17275 N MET C 333 32.918 25.314 55.956 1.00 43.32 N ATOM 17277 CA MET C 333 33.419 26.236 54.977 1.00 46.33 C ATOM 17279 CB MET C 333 33.426 27.663 55.549 1.00 48.59 C ATOM 17282 CG MET C 333 32.239 28.470 55.227 1.00 48.65 C ATOM 17285 SD MET C 333 31.907 29.702 56.521 1.00 59.78 S ATOM 17286 CE MET C 333 32.913 30.942 55.931 1.00 59.17 C ATOM 17290 C MET C 333 34.832 25.758 54.612 1.00 48.03 C ATOM 17291 O MET C 333 35.809 26.193 55.201 1.00 42.88 O ATOM 17292 N GLY C 334 34.915 24.862 53.635 1.00 48.50 N ATOM 17294 CA GLY C 334 36.160 24.240 53.247 1.00 52.01 C ATOM 17297 C GLY C 334 37.161 25.091 52.503 1.00 53.89 C ATOM 17298 O GLY C 334 37.081 26.315 52.511 1.00 58.04 O ATOM 17299 N ALA C 335 38.112 24.424 51.850 1.00 51.10 N ATOM 17301 CA ALA C 335 39.176 25.126 51.170 1.00 50.84 C ATOM 17303 CB ALA C 335 40.226 24.164 50.669 1.00 51.11 C ATOM 17307 C ALA C 335 38.671 25.963 50.024 1.00 53.88 C ATOM 17308 O ALA C 335 39.280 26.975 49.655 1.00 58.46 O ATOM 17309 N VAL C 336 37.566 25.592 49.424 1.00 52.66 N ATOM 17311 CA VAL C 336 37.223 26.366 48.255 1.00 56.89 C ATOM 17313 CB VAL C 336 36.226 25.654 47.316 1.00 57.19 C ATOM 17315 CG1 VAL C 336 36.745 24.245 46.966 1.00 56.50 C ATOM 17319 CG2 VAL C 336 34.848 25.609 47.913 1.00 59.09 C ATOM 17323 C VAL C 336 36.767 27.738 48.727 1.00 57.63 C ATOM 17324 O VAL C 336 36.957 28.725 48.038 1.00 60.05 O ATOM 17325 N ILE C 337 36.198 27.799 49.915 1.00 53.26 N ATOM 17327 CA ILE C 337 35.714 29.050 50.421 1.00 54.88 C ATOM 17329 CB ILE C 337 34.812 28.821 51.617 1.00 59.97 C ATOM 17331 CG1 ILE C 337 33.605 28.021 51.167 1.00 62.66 C ATOM 17334 CD1 ILE C 337 33.536 27.873 49.654 1.00 65.75 C ATOM 17338 CG2 ILE C 337 34.416 30.142 52.257 1.00 61.20 C ATOM 17342 C ILE C 337 36.884 29.853 50.861 1.00 55.72 C ATOM 17343 O ILE C 337 36.885 31.076 50.754 1.00 60.34 O ATOM 17344 N MET C 338 37.893 29.168 51.373 1.00 52.85 N ATOM 17346 CA MET C 338 39.058 29.859 51.874 1.00 45.91 C ATOM 17348 CB MET C 338 39.791 28.921 52.798 1.00 47.20 C ATOM 17351 CG MET C 338 39.048 28.822 54.095 1.00 46.36 C ATOM 17354 SD MET C 338 39.827 27.707 55.154 1.00 50.06 S ATOM 17355 CE MET C 338 41.323 28.450 55.484 1.00 38.59 C ATOM 17359 C MET C 338 39.946 30.388 50.744 1.00 42.52 C ATOM 17360 O MET C 338 40.483 31.476 50.842 1.00 47.16 O ATOM 17361 N GLU C 339 40.093 29.619 49.685 1.00 36.78 N ATOM 17363 CA GLU C 339 40.815 30.034 48.514 1.00 37.17 C ATOM 17365 CB GLU C 339 40.806 28.877 47.493 1.00 43.92 C ATOM 17368 CG GLU C 339 41.688 27.679 47.897 1.00 48.10 C ATOM 17371 CD GLU C 339 41.673 26.490 46.918 1.00 50.53 C ATOM 17372 OE1 GLU C 339 42.111 25.367 47.340 1.00 46.87 O ATOM 17373 OE2 GLU C 339 41.232 26.671 45.751 1.00 41.22 O ATOM 17374 C GLU C 339 40.279 31.374 47.900 1.00 39.02 C ATOM 17375 O GLU C 339 40.832 31.896 46.962 1.00 42.34 O ATOM 17376 N GLY C 340 39.213 31.955 48.402 1.00 35.08 N ATOM 17378 CA GLY C 340 38.963 33.297 47.960 1.00 33.46 C ATOM 17381 C GLY C 340 39.436 34.371 48.950 1.00 36.86 C ATOM 17382 O GLY C 340 39.491 35.574 48.678 1.00 33.13 O ATOM 17383 N PHE C 341 39.800 33.978 50.139 1.00 35.16 N ATOM 17385 CA PHE C 341 40.060 35.003 51.085 1.00 37.28 C ATOM 17387 CB PHE C 341 38.892 34.974 52.025 1.00 38.32 C ATOM 17390 CG PHE C 341 37.579 35.096 51.327 1.00 40.16 C ATOM 17391 CD1 PHE C 341 36.751 33.993 51.165 1.00 41.87 C ATOM 17393 CE1 PHE C 341 35.543 34.108 50.523 1.00 35.46 C ATOM 17395 CZ PHE C 341 35.160 35.341 50.042 1.00 35.20 C ATOM 17397 CE2 PHE C 341 35.976 36.453 50.198 1.00 27.10 C ATOM 17399 CD2 PHE C 341 37.160 36.331 50.830 1.00 37.05 C ATOM 17401 C PHE C 341 41.393 34.881 51.842 1.00 37.72 C ATOM 17402 O PHE C 341 42.042 33.895 51.736 1.00 35.29 O ATOM 17403 N TYR C 342 41.793 35.948 52.531 1.00 38.91 N ATOM 17405 CA TYR C 342 42.864 35.934 53.519 1.00 40.66 C ATOM 17407 CB TYR C 342 43.579 37.280 53.593 1.00 40.52 C ATOM 17410 CG TYR C 342 44.730 37.363 54.555 1.00 39.32 C ATOM 17411 CD1 TYR C 342 45.634 36.362 54.621 1.00 37.44 C ATOM 17413 CE1 TYR C 342 46.694 36.415 55.487 1.00 39.89 C ATOM 17415 CZ TYR C 342 46.880 37.469 56.308 1.00 40.51 C ATOM 17416 OH TYR C 342 48.015 37.396 57.146 1.00 35.08 O ATOM 17418 CE2 TYR C 342 45.972 38.527 56.273 1.00 33.09 C ATOM 17420 CD2 TYR C 342 44.908 38.466 55.405 1.00 36.55 C ATOM 17422 C TYR C 342 41.948 35.832 54.690 1.00 39.22 C ATOM 17423 O TYR C 342 41.035 36.677 54.718 1.00 33.31 O ATOM 17424 N VAL C 343 42.160 34.836 55.588 1.00 31.59 N ATOM 17426 CA VAL C 343 41.279 34.548 56.731 1.00 32.15 C ATOM 17428 CB VAL C 343 40.744 33.094 56.729 1.00 34.63 C ATOM 17430 CG1 VAL C 343 39.678 32.894 57.800 1.00 37.79 C ATOM 17434 CG2 VAL C 343 40.158 32.698 55.431 1.00 30.90 C ATOM 17438 C VAL C 343 42.126 34.646 57.971 1.00 34.71 C ATOM 17439 O VAL C 343 43.166 34.057 58.002 1.00 34.88 O ATOM 17440 N VAL C 344 41.668 35.362 58.991 1.00 39.79 N ATOM 17442 CA VAL C 344 42.422 35.621 60.206 1.00 38.00 C ATOM 17444 CB VAL C 344 42.381 37.141 60.498 1.00 42.04 C ATOM 17446 CG1 VAL C 344 42.852 37.469 61.904 1.00 48.20 C ATOM 17450 CG2 VAL C 344 43.247 37.919 59.538 1.00 39.85 C ATOM 17454 C VAL C 344 41.760 34.888 61.393 1.00 40.20 C ATOM 17455 O VAL C 344 40.616 35.179 61.718 1.00 39.35 O ATOM 17456 N PHE C 345 42.440 33.940 62.045 1.00 38.18 N ATOM 17458 CA PHE C 345 41.849 33.277 63.219 1.00 38.67 C ATOM 17460 CB PHE C 345 42.267 31.811 63.250 1.00 42.75 C ATOM 17463 CG PHE C 345 41.608 30.985 62.172 1.00 44.70 C ATOM 17464 CD1 PHE C 345 40.459 30.278 62.431 1.00 46.90 C ATOM 17466 CE1 PHE C 345 39.861 29.540 61.441 1.00 45.20 C ATOM 17468 CZ PHE C 345 40.403 29.522 60.202 1.00 37.04 C ATOM 17470 CE2 PHE C 345 41.543 30.228 59.941 1.00 41.08 C ATOM 17472 CD2 PHE C 345 42.133 30.944 60.899 1.00 40.32 C ATOM 17474 C PHE C 345 42.193 34.007 64.536 1.00 37.35 C ATOM 17475 O PHE C 345 43.045 33.621 65.279 1.00 41.94 O ATOM 17476 N ASP C 346 41.504 35.077 64.834 1.00 39.98 N ATOM 17478 CA ASP C 346 41.863 35.872 65.980 1.00 42.17 C ATOM 17480 CB ASP C 346 41.330 37.273 65.805 1.00 45.99 C ATOM 17483 CG ASP C 346 41.900 38.188 66.796 1.00 49.72 C ATOM 17484 OD1 ASP C 346 42.136 37.663 67.899 1.00 52.14 O ATOM 17485 OD2 ASP C 346 42.166 39.394 66.570 1.00 48.02 O ATOM 17486 C ASP C 346 41.315 35.302 67.253 1.00 46.76 C ATOM 17487 O ASP C 346 40.267 35.736 67.742 1.00 46.37 O ATOM 17488 N ARG C 347 42.047 34.325 67.780 1.00 48.24 N ATOM 17490 CA ARG C 347 41.697 33.614 68.997 1.00 47.24 C ATOM 17492 CB ARG C 347 42.701 32.505 69.278 1.00 50.28 C ATOM 17495 CG ARG C 347 42.704 31.426 68.259 1.00 51.78 C ATOM 17498 CD ARG C 347 43.965 30.680 68.289 1.00 57.96 C ATOM 17501 NE ARG C 347 44.139 30.045 69.591 1.00 62.86 N ATOM 17503 CZ ARG C 347 43.999 28.748 69.803 1.00 58.59 C ATOM 17504 NH1 ARG C 347 43.679 27.946 68.796 1.00 55.77 N ATOM 17507 NH2 ARG C 347 44.176 28.254 71.026 1.00 57.83 N ATOM 17510 C ARG C 347 41.666 34.492 70.205 1.00 47.41 C ATOM 17511 O ARG C 347 40.776 34.334 71.022 1.00 48.83 O ATOM 17512 N ALA C 348 42.633 35.393 70.342 1.00 48.64 N ATOM 17514 CA ALA C 348 42.676 36.300 71.498 1.00 52.13 C ATOM 17516 CB ALA C 348 43.786 37.298 71.352 1.00 55.88 C ATOM 17520 C ALA C 348 41.368 37.045 71.671 1.00 55.01 C ATOM 17521 O ALA C 348 40.819 37.132 72.778 1.00 57.03 O ATOM 17522 N ARG C 349 40.864 37.571 70.563 1.00 55.66 N ATOM 17524 CA ARG C 349 39.625 38.335 70.567 1.00 55.25 C ATOM 17526 CB ARG C 349 39.834 39.524 69.656 1.00 56.27 C ATOM 17529 CG ARG C 349 41.089 40.321 70.104 1.00 61.14 C ATOM 17532 CD ARG C 349 41.529 41.415 69.160 1.00 61.41 C ATOM 17535 NE ARG C 349 40.448 42.361 68.951 1.00 67.89 N ATOM 17537 CZ ARG C 349 40.598 43.555 68.413 1.00 67.22 C ATOM 17538 NH1 ARG C 349 41.799 43.941 68.019 1.00 57.57 N ATOM 17541 NH2 ARG C 349 39.538 44.355 68.266 1.00 68.37 N ATOM 17544 C ARG C 349 38.392 37.516 70.166 1.00 56.07 C ATOM 17545 O ARG C 349 37.361 38.057 69.810 1.00 57.65 O ATOM 17546 N LYS C 350 38.513 36.199 70.229 1.00 57.20 N ATOM 17548 CA LYS C 350 37.426 35.311 69.892 1.00 55.54 C ATOM 17550 CB LYS C 350 36.402 35.347 71.008 1.00 58.01 C ATOM 17553 CG LYS C 350 35.244 34.383 70.795 1.00 63.30 C ATOM 17556 CD LYS C 350 34.646 33.997 72.152 1.00 67.63 C ATOM 17559 CE LYS C 350 34.093 32.572 72.190 1.00 67.21 C ATOM 17562 NZ LYS C 350 33.300 32.324 73.459 1.00 66.54 N ATOM 17566 C LYS C 350 36.758 35.693 68.595 1.00 54.63 C ATOM 17567 O LYS C 350 35.541 35.923 68.575 1.00 58.43 O ATOM 17568 N ARG C 351 37.520 35.768 67.506 1.00 51.33 N ATOM 17570 CA ARG C 351 36.921 36.228 66.232 1.00 51.25 C ATOM 17572 CB ARG C 351 36.660 37.752 66.270 1.00 49.27 C ATOM 17575 CG ARG C 351 37.868 38.645 65.954 1.00 51.56 C ATOM 17578 CD ARG C 351 37.696 40.138 66.363 1.00 54.35 C ATOM 17581 NE ARG C 351 38.944 40.898 66.236 1.00 57.49 N ATOM 17583 CZ ARG C 351 39.061 42.151 65.802 1.00 51.36 C ATOM 17584 NH1 ARG C 351 38.005 42.835 65.434 1.00 51.03 N ATOM 17587 NH2 ARG C 351 40.259 42.717 65.731 1.00 48.91 N ATOM 17590 C ARG C 351 37.698 35.864 64.967 1.00 47.27 C ATOM 17591 O ARG C 351 38.916 35.715 65.021 1.00 40.70 O ATOM 17592 N ILE C 352 36.964 35.727 63.848 1.00 45.34 N ATOM 17594 CA ILE C 352 37.525 35.396 62.525 1.00 43.43 C ATOM 17596 CB ILE C 352 36.818 34.196 61.969 1.00 45.87 C ATOM 17598 CG1 ILE C 352 36.949 33.036 62.953 1.00 46.35 C ATOM 17601 CD1 ILE C 352 36.010 31.923 62.680 1.00 50.54 C ATOM 17605 CG2 ILE C 352 37.425 33.812 60.638 1.00 46.09 C ATOM 17609 C ILE C 352 37.427 36.552 61.493 1.00 44.39 C ATOM 17610 O ILE C 352 36.374 37.193 61.332 1.00 40.87 O ATOM 17611 N GLY C 353 38.530 36.806 60.787 1.00 43.24 N ATOM 17613 CA GLY C 353 38.623 37.933 59.874 1.00 43.55 C ATOM 17616 C GLY C 353 38.515 37.530 58.428 1.00 45.48 C ATOM 17617 O GLY C 353 39.044 36.500 58.055 1.00 54.82 O ATOM 17618 N PHE C 354 37.849 38.327 57.598 1.00 45.78 N ATOM 17620 CA PHE C 354 37.715 37.991 56.179 1.00 40.77 C ATOM 17622 CB PHE C 354 36.296 37.551 55.869 1.00 39.83 C ATOM 17625 CG PHE C 354 35.966 36.142 56.295 1.00 35.75 C ATOM 17626 CD1 PHE C 354 35.660 35.850 57.574 1.00 42.08 C ATOM 17628 CE1 PHE C 354 35.352 34.571 57.950 1.00 32.98 C ATOM 17630 CZ PHE C 354 35.355 33.598 57.059 1.00 29.90 C ATOM 17632 CE2 PHE C 354 35.652 33.862 55.807 1.00 31.02 C ATOM 17634 CD2 PHE C 354 35.952 35.131 55.416 1.00 35.30 C ATOM 17636 C PHE C 354 38.083 39.200 55.295 1.00 41.72 C ATOM 17637 O PHE C 354 37.714 40.315 55.585 1.00 34.33 O ATOM 17638 N ALA C 355 38.824 38.935 54.221 1.00 43.10 N ATOM 17640 CA ALA C 355 39.267 39.937 53.283 1.00 39.49 C ATOM 17642 CB ALA C 355 40.493 40.651 53.791 1.00 46.03 C ATOM 17646 C ALA C 355 39.622 39.226 52.013 1.00 41.04 C ATOM 17647 O ALA C 355 40.040 38.078 52.026 1.00 42.04 O ATOM 17648 N VAL C 356 39.464 39.934 50.910 1.00 41.73 N ATOM 17650 CA VAL C 356 39.681 39.388 49.610 1.00 38.27 C ATOM 17652 CB VAL C 356 39.294 40.438 48.541 1.00 40.02 C ATOM 17654 CG1 VAL C 356 39.311 39.862 47.108 1.00 44.27 C ATOM 17658 CG2 VAL C 356 37.936 40.971 48.802 1.00 31.45 C ATOM 17662 C VAL C 356 41.156 39.105 49.654 1.00 44.04 C ATOM 17663 O VAL C 356 41.903 39.922 50.189 1.00 46.65 O ATOM 17664 N SER C 357 41.521 37.932 49.121 1.00 49.35 N ATOM 17666 CA SER C 357 42.877 37.379 48.946 1.00 46.26 C ATOM 17668 CB SER C 357 42.764 35.885 48.732 1.00 47.49 C ATOM 17671 OG SER C 357 43.936 35.334 48.149 1.00 57.37 O ATOM 17673 C SER C 357 43.563 37.880 47.719 1.00 48.33 C ATOM 17674 O SER C 357 42.975 37.887 46.664 1.00 46.33 O ATOM 17675 N ALA C 358 44.830 38.271 47.846 1.00 56.29 N ATOM 17677 CA ALA C 358 45.583 38.848 46.722 1.00 56.23 C ATOM 17679 CB ALA C 358 46.834 39.538 47.217 1.00 56.89 C ATOM 17683 C ALA C 358 45.994 37.860 45.668 1.00 54.12 C ATOM 17684 O ALA C 358 46.607 38.256 44.708 1.00 56.22 O ATOM 17685 N CYS C 359 45.696 36.589 45.852 1.00 54.48 N ATOM 17687 CA CYS C 359 46.053 35.583 44.874 1.00 58.48 C ATOM 17689 CB CYS C 359 47.071 34.636 45.479 1.00 60.40 C ATOM 17692 SG CYS C 359 46.287 33.673 46.804 1.00 70.62 S ATOM 17693 C CYS C 359 44.866 34.740 44.441 1.00 55.69 C ATOM 17694 O CYS C 359 45.065 33.670 43.872 1.00 58.26 O ATOM 17695 N HIS C 360 43.646 35.200 44.698 1.00 52.56 N ATOM 17697 CA HIS C 360 42.458 34.444 44.313 1.00 47.84 C ATOM 17699 CB HIS C 360 41.228 34.911 45.062 1.00 44.33 C ATOM 17702 CG HIS C 360 40.456 35.978 44.368 1.00 36.46 C ATOM 17703 ND1 HIS C 360 40.527 37.304 44.749 1.00 35.80 N ATOM 17705 CE1 HIS C 360 39.725 38.021 43.980 1.00 32.97 C ATOM 17707 NE2 HIS C 360 39.146 37.205 43.108 1.00 35.99 N ATOM 17709 CD2 HIS C 360 39.583 35.920 43.334 1.00 24.33 C ATOM 17711 C HIS C 360 42.149 34.453 42.837 1.00 48.33 C ATOM 17712 O HIS C 360 41.972 35.472 42.212 1.00 55.09 O ATOM 17713 N VAL C 361 42.049 33.269 42.301 1.00 48.18 N ATOM 17715 CA VAL C 361 41.775 33.081 40.913 1.00 49.01 C ATOM 17717 CB VAL C 361 41.585 31.602 40.711 1.00 46.22 C ATOM 17719 CG1 VAL C 361 41.177 31.321 39.315 1.00 51.10 C ATOM 17723 CG2 VAL C 361 42.857 30.908 41.025 1.00 47.29 C ATOM 17727 C VAL C 361 40.511 33.766 40.444 1.00 51.23 C ATOM 17728 O VAL C 361 39.424 33.400 40.904 1.00 56.14 O ATOM 17729 N HIS C 362 40.623 34.748 39.552 1.00 52.97 N ATOM 17731 CA HIS C 362 39.418 35.335 38.940 1.00 57.75 C ATOM 17733 CB HIS C 362 38.911 36.603 39.652 1.00 62.76 C ATOM 17736 CG HIS C 362 39.899 37.726 39.721 1.00 66.49 C ATOM 17737 ND1 HIS C 362 40.724 37.924 40.807 1.00 69.80 N ATOM 17739 CE1 HIS C 362 41.485 38.984 40.598 1.00 70.34 C ATOM 17741 NE2 HIS C 362 41.181 39.486 39.417 1.00 71.05 N ATOM 17743 CD2 HIS C 362 40.187 38.721 38.849 1.00 71.53 C ATOM 17745 C HIS C 362 39.569 35.585 37.467 1.00 56.16 C ATOM 17746 O HIS C 362 40.553 35.203 36.886 1.00 55.35 O ATOM 17747 N ASP C 363 38.559 36.210 36.869 1.00 62.61 N ATOM 17749 CA ASP C 363 38.561 36.570 35.436 1.00 63.83 C ATOM 17751 CB ASP C 363 37.395 35.908 34.686 1.00 62.33 C ATOM 17754 CG ASP C 363 36.028 36.093 35.405 1.00 67.13 C ATOM 17755 OD1 ASP C 363 35.956 36.855 36.408 1.00 60.86 O ATOM 17756 OD2 ASP C 363 34.969 35.506 35.031 1.00 63.80 O ATOM 17757 C ASP C 363 38.439 38.084 35.425 1.00 62.69 C ATOM 17758 O ASP C 363 38.327 38.695 36.488 1.00 65.13 O ATOM 17759 N GLU C 364 38.443 38.706 34.259 1.00 62.65 N ATOM 17761 CA GLU C 364 38.410 40.178 34.212 1.00 60.57 C ATOM 17763 CB GLU C 364 38.753 40.605 32.793 1.00 60.33 C ATOM 17766 CG GLU C 364 38.194 41.926 32.333 1.00 61.49 C ATOM 17769 CD GLU C 364 38.714 42.269 30.943 1.00 70.09 C ATOM 17770 OE1 GLU C 364 38.632 41.370 30.055 1.00 68.45 O ATOM 17771 OE2 GLU C 364 39.216 43.417 30.749 1.00 72.62 O ATOM 17772 C GLU C 364 37.097 40.860 34.703 1.00 55.57 C ATOM 17773 O GLU C 364 37.111 41.994 35.171 1.00 55.50 O ATOM 17774 N PHE C 365 35.971 40.175 34.628 1.00 50.41 N ATOM 17776 CA PHE C 365 34.702 40.825 34.944 1.00 48.24 C ATOM 17778 CB PHE C 365 33.671 40.470 33.882 1.00 48.33 C ATOM 17781 CG PHE C 365 34.219 40.334 32.501 1.00 48.95 C ATOM 17782 CD1 PHE C 365 34.692 39.123 32.072 1.00 49.95 C ATOM 17784 CE1 PHE C 365 35.199 38.950 30.789 1.00 53.08 C ATOM 17786 CZ PHE C 365 35.233 39.991 29.912 1.00 55.82 C ATOM 17788 CE2 PHE C 365 34.750 41.271 30.319 1.00 56.84 C ATOM 17790 CD2 PHE C 365 34.243 41.424 31.616 1.00 56.84 C ATOM 17792 C PHE C 365 34.054 40.497 36.292 1.00 45.78 C ATOM 17793 O PHE C 365 32.976 40.993 36.576 1.00 49.51 O ATOM 17794 N ARG C 366 34.682 39.663 37.105 1.00 45.57 N ATOM 17796 CA ARG C 366 34.121 39.240 38.385 1.00 41.73 C ATOM 17798 CB ARG C 366 33.243 38.013 38.194 1.00 38.80 C ATOM 17801 CG ARG C 366 31.822 38.352 38.384 1.00 37.22 C ATOM 17804 CD ARG C 366 30.802 37.311 38.128 1.00 40.56 C ATOM 17807 NE ARG C 366 31.257 36.052 37.537 1.00 48.25 N ATOM 17809 CZ ARG C 366 30.432 35.033 37.321 1.00 47.05 C ATOM 17810 NH1 ARG C 366 29.168 35.161 37.641 1.00 44.28 N ATOM 17813 NH2 ARG C 366 30.852 33.894 36.787 1.00 53.80 N ATOM 17816 C ARG C 366 35.212 38.904 39.367 1.00 42.95 C ATOM 17817 O ARG C 366 36.107 38.169 39.041 1.00 47.17 O ATOM 17818 N THR C 367 35.105 39.427 40.577 1.00 45.66 N ATOM 17820 CA THR C 367 36.140 39.279 41.588 1.00 47.80 C ATOM 17822 CB THR C 367 36.868 40.622 41.749 1.00 51.39 C ATOM 17824 OG1 THR C 367 38.131 40.423 42.363 1.00 57.38 O ATOM 17826 CG2 THR C 367 36.156 41.538 42.774 1.00 56.23 C ATOM 17830 C THR C 367 35.492 38.965 42.905 1.00 46.46 C ATOM 17831 O THR C 367 34.522 39.642 43.277 1.00 54.55 O ATOM 17832 N ALA C 368 35.993 37.977 43.640 1.00 39.88 N ATOM 17834 CA ALA C 368 35.375 37.681 44.909 1.00 32.52 C ATOM 17836 CB ALA C 368 36.048 36.619 45.526 1.00 37.31 C ATOM 17840 C ALA C 368 35.389 38.935 45.813 1.00 39.83 C ATOM 17841 O ALA C 368 36.237 39.822 45.723 1.00 44.69 O ATOM 17842 N ALA C 369 34.440 39.005 46.715 1.00 43.60 N ATOM 17844 CA ALA C 369 34.275 40.200 47.502 1.00 40.45 C ATOM 17846 CB ALA C 369 33.188 40.996 46.899 1.00 43.87 C ATOM 17850 C ALA C 369 33.937 39.926 48.946 1.00 37.91 C ATOM 17851 O ALA C 369 33.672 38.782 49.352 1.00 37.55 O ATOM 17852 N VAL C 370 33.960 41.017 49.694 1.00 36.68 N ATOM 17854 CA VAL C 370 33.625 41.058 51.097 1.00 36.40 C ATOM 17856 CB VAL C 370 34.810 40.835 51.938 1.00 34.82 C ATOM 17858 CG1 VAL C 370 34.375 40.751 53.345 1.00 39.75 C ATOM 17862 CG2 VAL C 370 35.455 39.559 51.558 1.00 40.98 C ATOM 17866 C VAL C 370 33.125 42.479 51.368 1.00 38.45 C ATOM 17867 O VAL C 370 33.886 43.400 51.320 1.00 26.92 O ATOM 17868 N GLU C 371 31.840 42.634 51.674 1.00 44.21 N ATOM 17870 CA GLU C 371 31.246 43.943 51.819 1.00 47.61 C ATOM 17872 CB GLU C 371 30.441 44.204 50.559 1.00 51.18 C ATOM 17875 CG GLU C 371 31.339 44.513 49.383 1.00 54.46 C ATOM 17878 CD GLU C 371 30.714 44.152 48.063 1.00 57.83 C ATOM 17879 OE1 GLU C 371 31.465 44.024 47.072 1.00 64.47 O ATOM 17880 OE2 GLU C 371 29.479 43.997 48.016 1.00 63.16 O ATOM 17881 C GLU C 371 30.337 44.077 53.026 1.00 48.24 C ATOM 17882 O GLU C 371 29.893 43.081 53.576 1.00 47.20 O ATOM 17883 N GLY C 372 30.062 45.311 53.440 1.00 50.29 N ATOM 17885 CA GLY C 372 29.156 45.560 54.560 1.00 50.67 C ATOM 17888 C GLY C 372 29.149 47.025 54.947 1.00 50.50 C ATOM 17889 O GLY C 372 29.884 47.806 54.361 1.00 51.93 O ATOM 17890 N PRO C 373 28.353 47.431 55.934 1.00 52.13 N ATOM 17891 CA PRO C 373 27.466 46.568 56.733 1.00 47.64 C ATOM 17893 CB PRO C 373 27.318 47.351 58.016 1.00 51.45 C ATOM 17896 CG PRO C 373 27.992 48.699 57.790 1.00 49.65 C ATOM 17899 CD PRO C 373 28.278 48.839 56.356 1.00 47.50 C ATOM 17902 C PRO C 373 26.077 46.434 56.223 1.00 46.53 C ATOM 17903 O PRO C 373 25.632 47.293 55.527 1.00 45.34 O ATOM 17904 N PHE C 374 25.398 45.365 56.607 1.00 52.57 N ATOM 17906 CA PHE C 374 24.028 45.097 56.195 1.00 50.90 C ATOM 17908 CB PHE C 374 23.894 43.751 55.484 1.00 49.66 C ATOM 17911 CG PHE C 374 24.437 43.797 54.115 1.00 48.09 C ATOM 17912 CD1 PHE C 374 25.718 43.429 53.899 1.00 39.08 C ATOM 17914 CE1 PHE C 374 26.255 43.495 52.658 1.00 42.90 C ATOM 17916 CZ PHE C 374 25.507 43.947 51.602 1.00 42.40 C ATOM 17918 CE2 PHE C 374 24.192 44.339 51.799 1.00 39.12 C ATOM 17920 CD2 PHE C 374 23.660 44.272 53.042 1.00 42.78 C ATOM 17922 C PHE C 374 23.203 45.056 57.387 1.00 52.02 C ATOM 17923 O PHE C 374 23.499 44.353 58.298 1.00 54.34 O ATOM 17924 N VAL C 375 22.141 45.825 57.369 1.00 64.41 N ATOM 17926 CA VAL C 375 21.259 45.867 58.496 1.00 65.17 C ATOM 17928 CB VAL C 375 20.319 47.035 58.465 1.00 65.29 C ATOM 17930 CG1 VAL C 375 18.943 46.570 58.832 1.00 62.93 C ATOM 17934 CG2 VAL C 375 20.850 48.116 59.416 1.00 68.23 C ATOM 17938 C VAL C 375 20.504 44.604 58.423 1.00 65.98 C ATOM 17939 O VAL C 375 19.770 44.346 57.465 1.00 61.21 O ATOM 17940 N THR C 376 20.735 43.830 59.472 1.00 69.92 N ATOM 17942 CA THR C 376 20.191 42.515 59.661 1.00 72.22 C ATOM 17944 CB THR C 376 21.334 41.602 59.808 1.00 68.57 C ATOM 17946 OG1 THR C 376 22.053 41.618 58.582 1.00 71.14 O ATOM 17948 CG2 THR C 376 20.874 40.181 59.945 1.00 74.54 C ATOM 17952 C THR C 376 19.394 42.475 60.931 1.00 76.89 C ATOM 17953 O THR C 376 19.568 43.345 61.802 1.00 77.58 O ATOM 17954 N LEU C 377 18.515 41.483 61.041 1.00 78.66 N ATOM 17956 CA LEU C 377 17.779 41.340 62.271 1.00 81.96 C ATOM 17958 CB LEU C 377 16.384 42.007 62.166 1.00 82.78 C ATOM 17961 CG LEU C 377 16.197 43.562 62.077 1.00 80.18 C ATOM 17963 CD1 LEU C 377 14.947 43.957 62.853 1.00 78.29 C ATOM 17967 CD2 LEU C 377 17.354 44.441 62.577 1.00 78.91 C ATOM 17971 C LEU C 377 17.724 39.892 62.815 1.00 85.19 C ATOM 17972 O LEU C 377 17.679 38.869 62.076 1.00 84.41 O ATOM 17973 N ASP C 378 17.759 39.855 64.146 1.00 85.34 N ATOM 17975 CA ASP C 378 17.597 38.638 64.925 1.00 86.48 C ATOM 17977 CB ASP C 378 16.107 38.328 65.098 1.00 87.44 C ATOM 17980 CG ASP C 378 15.461 39.248 66.154 1.00 89.47 C ATOM 17981 OD1 ASP C 378 14.462 39.975 65.855 1.00 84.97 O ATOM 17982 OD2 ASP C 378 15.931 39.308 67.324 1.00 86.14 O ATOM 17983 C ASP C 378 18.427 37.522 64.336 1.00 85.13 C ATOM 17984 O ASP C 378 17.942 36.486 63.887 1.00 81.67 O ATOM 17985 N MET C 379 19.722 37.805 64.374 1.00 84.77 N ATOM 17987 CA MET C 379 20.750 36.965 63.819 1.00 82.56 C ATOM 17989 CB MET C 379 22.027 37.805 63.684 1.00 81.97 C ATOM 17992 CG MET C 379 21.955 38.836 62.581 1.00 79.38 C ATOM 17995 SD MET C 379 23.553 39.475 62.065 1.00 83.45 S ATOM 17996 CE MET C 379 23.573 41.080 62.930 1.00 84.33 C ATOM 18000 C MET C 379 21.010 35.728 64.668 1.00 84.75 C ATOM 18001 O MET C 379 21.060 34.618 64.133 1.00 82.43 O ATOM 18002 N GLU C 380 21.163 35.920 65.986 1.00 87.40 N ATOM 18004 CA GLU C 380 21.555 34.840 66.914 1.00 87.60 C ATOM 18006 CB GLU C 380 21.977 35.423 68.276 1.00 89.46 C ATOM 18009 CG GLU C 380 22.952 34.592 69.137 1.00 93.46 C ATOM 18012 CD GLU C 380 23.920 33.680 68.372 1.00 95.12 C ATOM 18013 OE1 GLU C 380 25.124 34.033 68.271 1.00 90.03 O ATOM 18014 OE2 GLU C 380 23.480 32.596 67.888 1.00 96.29 O ATOM 18015 C GLU C 380 20.459 33.763 67.031 1.00 86.12 C ATOM 18016 O GLU C 380 20.684 32.687 67.584 1.00 86.59 O ATOM 18017 N ASP C 381 19.274 34.075 66.511 1.00 83.49 N ATOM 18019 CA ASP C 381 18.248 33.064 66.258 1.00 81.88 C ATOM 18021 CB ASP C 381 16.884 33.717 66.074 1.00 84.33 C ATOM 18024 CG ASP C 381 16.354 34.306 67.351 1.00 88.13 C ATOM 18025 OD1 ASP C 381 17.009 34.123 68.400 1.00 92.81 O ATOM 18026 OD2 ASP C 381 15.285 34.957 67.412 1.00 96.45 O ATOM 18027 C ASP C 381 18.542 32.177 65.026 1.00 77.79 C ATOM 18028 O ASP C 381 17.711 31.347 64.663 1.00 73.78 O ATOM 18029 N CYS C 382 19.691 32.376 64.374 1.00 76.40 N ATOM 18031 CA CYS C 382 20.187 31.458 63.331 1.00 74.85 C ATOM 18033 CB CYS C 382 20.891 32.215 62.222 1.00 75.98 C ATOM 18036 SG CYS C 382 19.819 33.500 61.620 1.00 81.03 S ATOM 18037 C CYS C 382 21.192 30.538 63.948 1.00 71.07 C ATOM 18038 O CYS C 382 21.755 29.673 63.284 1.00 71.77 O ATOM 18039 N GLY C 383 21.432 30.753 65.230 1.00 70.20 N ATOM 18041 CA GLY C 383 22.315 29.896 65.987 1.00 71.89 C ATOM 18044 C GLY C 383 21.508 28.693 66.386 1.00 67.41 C ATOM 18045 O GLY C 383 20.307 28.772 66.344 1.00 63.32 O ATOM 18046 N TYR C 384 22.173 27.610 66.777 1.00 70.66 N ATOM 18048 CA TYR C 384 21.524 26.326 67.055 1.00 70.77 C ATOM 18050 CB TYR C 384 22.069 25.337 66.056 1.00 73.27 C ATOM 18053 CG TYR C 384 21.523 23.975 66.237 1.00 78.48 C ATOM 18054 CD1 TYR C 384 20.204 23.719 65.946 1.00 81.09 C ATOM 18056 CE1 TYR C 384 19.676 22.472 66.103 1.00 85.92 C ATOM 18058 CZ TYR C 384 20.465 21.448 66.560 1.00 86.01 C ATOM 18059 OH TYR C 384 19.876 20.203 66.701 1.00 90.24 O ATOM 18061 CE2 TYR C 384 21.805 21.676 66.865 1.00 85.31 C ATOM 18063 CD2 TYR C 384 22.322 22.936 66.701 1.00 81.62 C ATOM 18065 C TYR C 384 21.815 25.839 68.471 1.00 69.90 C ATOM 18066 O TYR C 384 22.877 26.160 68.995 1.00 72.05 O ATOM 18067 N ASN C 385 20.917 25.061 69.091 1.00 70.22 N ATOM 18069 CA ASN C 385 21.075 24.714 70.531 1.00 71.13 C ATOM 18071 CB ASN C 385 20.189 25.677 71.312 1.00 69.28 C ATOM 18074 CG ASN C 385 20.760 27.093 71.323 1.00 71.39 C ATOM 18075 OD1 ASN C 385 21.959 27.270 71.578 1.00 73.33 O ATOM 18076 ND2 ASN C 385 19.922 28.103 71.047 1.00 59.22 N ATOM 18079 C ASN C 385 20.886 23.262 71.086 1.00 73.98 C ATOM 18080 O ASN C 385 19.844 22.617 71.262 1.00 78.23 O ATOM 18081 OXT ASN C 385 21.764 22.479 71.486 1.00 70.20 O ATOM 18082 N GLU D 1 24.811 10.412 15.956 1.00 49.83 N ATOM 18084 CA GLU D 1 24.832 9.932 14.556 1.00 49.27 C ATOM 18086 CB GLU D 1 24.711 11.160 13.647 1.00 52.47 C ATOM 18089 CG GLU D 1 24.175 10.965 12.229 1.00 53.06 C ATOM 18092 CD GLU D 1 23.832 12.282 11.531 1.00 54.58 C ATOM 18093 OE1 GLU D 1 23.120 13.161 12.125 1.00 58.12 O ATOM 18094 OE2 GLU D 1 24.276 12.444 10.373 1.00 51.77 O ATOM 18095 C GLU D 1 26.172 9.309 14.292 1.00 53.40 C ATOM 18096 O GLU D 1 27.170 9.803 14.821 1.00 62.53 O ATOM 18099 N VAL D 2 26.219 8.207 13.540 1.00 50.49 N ATOM 18101 CA VAL D 2 27.451 7.883 12.839 1.00 47.46 C ATOM 18103 CB VAL D 2 27.878 6.495 13.081 1.00 48.05 C ATOM 18105 CG1 VAL D 2 28.636 6.435 14.387 1.00 43.66 C ATOM 18109 CG2 VAL D 2 26.682 5.606 13.046 1.00 48.85 C ATOM 18113 C VAL D 2 27.416 8.076 11.318 1.00 46.38 C ATOM 18114 O VAL D 2 26.397 8.224 10.710 1.00 45.59 O ATOM 18115 N ASN D 3 28.589 8.071 10.719 1.00 46.83 N ATOM 18117 CA ASN D 3 28.728 8.117 9.292 1.00 48.82 C ATOM 18119 CB ASN D 3 28.844 9.528 8.743 1.00 47.44 C ATOM 18122 CG ASN D 3 27.547 10.251 8.771 1.00 50.24 C ATOM 18123 OD1 ASN D 3 27.033 10.674 7.743 1.00 45.24 O ATOM 18124 ND2 ASN D 3 26.998 10.409 9.963 1.00 53.88 N ATOM 18127 C ASN D 3 30.011 7.423 9.016 1.00 45.35 C ATOM 18128 O ASN D 3 30.876 8.042 8.462 1.00 56.01 O ATOM 18129 O LOL D 4 30.649 3.658 7.253 1.00 41.49 O ATOM 18130 C LOL D 4 31.616 4.701 7.302 1.00 44.31 C ATOM 18131 CA LOL D 4 31.464 5.422 8.643 1.00 44.47 C ATOM 18132 N LOL D 4 30.059 5.809 8.714 1.00 40.56 N ATOM 18133 CB LOL D 4 31.620 4.400 9.742 1.00 39.73 C ATOM 18134 CG LOL D 4 31.782 5.153 11.041 1.00 42.24 C ATOM 18135 CD2 LOL D 4 32.929 6.168 11.002 1.00 38.09 C ATOM 18136 CD1 LOL D 4 32.012 4.153 12.156 1.00 44.46 C ATOM 18137 O ALQ D 5 33.539 6.138 4.922 1.00 46.58 O ATOM 18138 C ALQ D 5 32.895 5.448 4.118 1.00 40.59 C ATOM 18139 CA ALQ D 5 31.531 4.899 4.429 1.00 34.48 C ATOM 18140 CM ALQ D 5 31.262 5.085 5.904 1.00 25.68 C ATOM 18141 CB ALQ D 5 30.525 5.761 3.689 1.00 32.81 C ATOM 18142 N ALA D 6 33.833 4.377 4.106 1.00 47.34 N ATOM 18144 CA ALA D 6 35.183 4.871 3.785 1.00 46.63 C ATOM 18146 CB ALA D 6 35.992 3.752 3.209 1.00 48.42 C ATOM 18150 C ALA D 6 35.139 6.050 2.825 1.00 48.53 C ATOM 18151 O ALA D 6 34.387 6.073 1.850 1.00 41.51 O ATOM 18154 N GLU D 7 35.936 7.053 3.153 1.00 57.71 N ATOM 18156 CA GLU D 7 36.170 8.193 2.282 1.00 61.39 C ATOM 18158 CB GLU D 7 37.103 9.150 2.997 1.00 63.36 C ATOM 18161 CG GLU D 7 36.554 10.567 3.088 1.00 69.77 C ATOM 18164 CD GLU D 7 37.556 11.591 3.638 1.00 72.88 C ATOM 18165 OE1 GLU D 7 37.130 12.437 4.470 1.00 71.19 O ATOM 18166 OE2 GLU D 7 38.753 11.548 3.245 1.00 71.30 O ATOM 18167 C GLU D 7 36.746 7.878 0.873 1.00 63.19 C ATOM 18168 O GLU D 7 36.460 8.610 −0.067 1.00 59.17 O ATOM 18169 N PHE D 8 37.554 6.833 0.708 1.00 64.51 N ATOM 18171 CA PHE D 8 38.046 6.472 −0.636 1.00 66.42 C ATOM 18173 CB PHE D 8 37.450 5.145 −1.093 1.00 61.61 C ATOM 18176 CG PHE D 8 38.061 4.586 −2.379 1.00 58.86 C ATOM 18177 CD1 PHE D 8 37.441 4.769 −3.602 1.00 59.33 C ATOM 18179 CE1 PHE D 8 37.986 4.253 −4.767 1.00 58.96 C ATOM 18181 CZ PHE D 8 39.174 3.536 −4.731 1.00 60.39 C ATOM 18183 CE2 PHE D 8 39.800 3.345 −3.536 1.00 58.60 C ATOM 18185 CD2 PHE D 8 39.239 3.869 −2.355 1.00 59.06 C ATOM 18187 C PHE D 8 37.706 7.526 −1.692 1.00 70.25 C ATOM 18188 O PHE D 8 36.951 7.302 −2.641 1.00 73.78 O ATOM 18189 OXT PHE D 8 38.159 8.667 −1.670 1.00 76.04 O ATOM 18190 N GLU E 1 3.521 56.829 27.990 1.00 51.90 N ATOM 18192 CA GLU E 1 4.813 56.347 27.405 1.00 53.95 C ATOM 18194 CB GLU E 1 4.748 54.908 26.863 1.00 52.89 C ATOM 18197 CG GLU E 1 6.020 54.441 26.144 1.00 54.53 C ATOM 18200 CD GLU E 1 5.940 53.023 25.544 1.00 61.12 C ATOM 18201 OE1 GLU E 1 4.802 52.481 25.400 1.00 68.56 O ATOM 18202 OE2 GLU E 1 7.009 52.427 25.193 1.00 55.04 O ATOM 18203 C GLU E 1 5.206 57.280 26.290 1.00 56.24 C ATOM 18204 O GLU E 1 4.726 57.179 25.177 1.00 58.77 O ATOM 18207 N VAL E 2 6.069 58.225 26.625 1.00 60.38 N ATOM 18209 CA VAL E 2 6.748 59.058 25.641 1.00 55.03 C ATOM 18211 CB VAL E 2 7.513 60.074 26.359 1.00 53.73 C ATOM 18213 CG1 VAL E 2 6.581 60.848 27.263 1.00 55.96 C ATOM 18217 CG2 VAL E 2 8.615 59.394 27.171 1.00 56.70 C ATOM 18221 C VAL E 2 7.758 58.285 24.804 1.00 54.06 C ATOM 18222 O VAL E 2 8.268 57.267 25.214 1.00 51.79 O ATOM 18223 N ASN E 3 8.053 58.785 23.618 1.00 51.49 N ATOM 18225 CA ASN E 3 9.062 58.167 22.787 1.00 49.08 C ATOM 18227 CB ASN E 3 8.502 56.972 22.011 1.00 52.23 C ATOM 18230 CG ASN E 3 8.790 55.632 22.678 1.00 58.18 C ATOM 18231 OD1 ASN E 3 9.955 55.264 22.882 1.00 65.86 O ATOM 18232 ND2 ASN E 3 7.724 54.885 23.009 1.00 59.14 N ATOM 18235 C ASN E 3 9.599 59.235 21.836 1.00 48.29 C ATOM 18236 O ASN E 3 9.547 59.112 20.605 1.00 43.64 O ATOM 18237 O LOL E 4 12.598 62.494 21.688 1.00 44.76 O ATOM 18238 C LOL E 4 11.793 61.498 21.082 1.00 36.75 C ATOM 18239 CA LOL E 4 10.394 61.683 21.640 1.00 39.29 C ATOM 18240 N LOL E 4 10.081 60.567 22.545 1.00 35.78 N ATOM 18241 CB LOL E 4 10.243 62.899 22.530 1.00 30.76 C ATOM 18242 CG LOL E 4 8.730 62.693 22.652 1.00 40.35 C ATOM 18243 CD2 LOL E 4 8.185 62.234 21.296 1.00 31.81 C ATOM 18244 CD1 LOL E 4 8.003 63.914 23.151 1.00 38.31 C ATOM 18245 O ALQ E 5 12.574 60.630 18.017 1.00 56.62 O ATOM 18246 C ALQ E 5 12.792 61.258 19.046 1.00 45.00 C ATOM 18247 CA ALQ E 5 13.506 60.509 20.107 1.00 39.17 C ATOM 18248 CM ALQ E 5 12.383 59.943 20.954 1.00 33.18 C ATOM 18249 CB ALQ E 5 14.198 59.370 19.382 1.00 38.30 C ATOM 18250 N ALA E 6 13.763 61.587 17.911 1.00 53.06 N ATOM 18252 CA ALA E 6 13.416 62.316 16.681 1.00 48.77 C ATOM 18254 CB ALA E 6 14.238 63.578 16.590 1.00 46.81 C ATOM 18258 C ALA E 6 13.739 61.376 15.550 1.00 56.62 C ATOM 18259 O ALA E 6 14.884 61.001 15.355 1.00 60.60 O ATOM 18262 N GLU E 7 12.718 60.941 14.836 1.00 66.83 N ATOM 18264 CA GLU E 7 12.894 60.209 13.578 1.00 70.79 C ATOM 18266 CB GLU E 7 11.658 60.366 12.670 1.00 71.58 C ATOM 18269 CG GLU E 7 11.195 58.999 12.147 1.00 74.78 C ATOM 18272 CD GLU E 7 9.767 58.949 11.583 1.00 77.65 C ATOM 18273 OE1 GLU E 7 9.502 59.494 10.475 1.00 71.21 O ATOM 18274 OE2 GLU E 7 8.907 58.325 12.252 1.00 77.08 O ATOM 18275 C GLU E 7 14.184 60.468 12.764 1.00 72.67 C ATOM 18276 O GLU E 7 15.094 59.622 12.765 1.00 77.73 O ATOM 18277 N PHE E 8 14.297 61.598 12.076 1.00 75.16 N ATOM 18279 CA PHE E 8 15.396 61.740 11.113 1.00 80.96 C ATOM 18281 CB PHE E 8 16.737 61.952 11.801 1.00 82.87 C ATOM 18284 CG PHE E 8 17.803 62.573 10.917 1.00 81.73 C ATOM 18285 CD1 PHE E 8 18.769 61.793 10.279 1.00 83.54 C ATOM 18287 CE1 PHE E 8 19.751 62.381 9.479 1.00 81.99 C ATOM 18289 CZ PHE E 8 19.763 63.746 9.316 1.00 83.35 C ATOM 18291 CE2 PHE E 8 18.811 64.520 9.944 1.00 82.55 C ATOM 18293 CD2 PHE E 8 17.841 63.934 10.739 1.00 82.70 C ATOM 18295 C PHE E 8 15.507 60.437 10.291 1.00 85.47 C ATOM 18296 O PHE E 8 16.608 59.978 9.946 1.00 83.09 O ATOM 18297 OXT PHE E 8 14.521 59.767 9.937 1.00 89.34 O ATOM 18298 N GLU F 1 40.126 14.124 47.515 1.00 62.65 N ATOM 18300 CA GLU F 1 39.361 14.895 48.535 1.00 57.33 C ATOM 18302 CB GLU F 1 37.879 14.527 48.449 1.00 55.81 C ATOM 18305 CG GLU F 1 36.898 15.591 48.922 1.00 53.48 C ATOM 18308 CD GLU F 1 35.432 15.241 48.626 1.00 57.95 C ATOM 18309 OE1 GLU F 1 35.172 14.718 47.492 1.00 57.16 O ATOM 18310 OE2 GLU F 1 34.540 15.499 49.515 1.00 46.53 O ATOM 18311 C GLU F 1 39.838 14.584 49.925 1.00 56.46 C ATOM 18312 O GLU F 1 39.954 13.421 50.262 1.00 59.04 O ATOM 18315 N VAL F 2 40.171 15.626 50.694 1.00 52.85 N ATOM 18317 CA VAL F 2 40.258 15.529 52.154 1.00 48.66 C ATOM 18319 CB VAL F 2 41.331 16.368 52.682 1.00 45.45 C ATOM 18321 CG1 VAL F 2 42.586 15.583 52.593 1.00 48.71 C ATOM 18325 CG2 VAL F 2 41.395 17.658 51.885 1.00 48.21 C ATOM 18329 C VAL F 2 39.011 15.976 52.885 1.00 45.82 C ATOM 18330 O VAL F 2 38.300 16.826 52.430 1.00 52.38 O ATOM 18331 N ASN F 3 38.762 15.399 54.047 1.00 47.13 N ATOM 18333 CA ASN F 3 37.566 15.702 54.814 1.00 48.46 C ATOM 18335 CB ASN F 3 36.425 14.705 54.512 1.00 46.45 C ATOM 18338 CG ASN F 3 35.499 15.178 53.371 1.00 48.95 C ATOM 18339 OD1 ASN F 3 34.662 16.042 53.600 1.00 56.94 O ATOM 18340 ND2 ASN F 3 35.637 14.599 52.147 1.00 41.31 N ATOM 18343 C ASN F 3 37.938 15.676 56.289 1.00 48.81 C ATOM 18344 O ASN F 3 37.884 14.650 56.945 1.00 46.42 O ATOM 18345 O LOL F 4 39.109 18.145 59.529 1.00 30.33 O ATOM 18346 C LOL F 4 39.139 16.727 59.642 1.00 37.57 C ATOM 18347 CA LOL F 4 39.449 15.978 58.340 1.00 34.22 C ATOM 18348 N LOL F 4 38.607 16.653 57.414 1.00 33.81 N ATOM 18349 CB LOL F 4 40.854 16.178 57.816 1.00 29.74 C ATOM 18350 CG LOL F 4 41.230 14.854 57.136 1.00 42.88 C ATOM 18351 CD2 LOL F 4 40.898 13.685 58.067 1.00 44.40 C ATOM 18352 CD1 LOL F 4 42.690 14.689 56.716 1.00 33.62 C ATOM 18353 O ALQ F 5 37.076 16.340 61.729 1.00 51.12 O ATOM 18354 C ALQ F 5 37.482 17.448 61.387 1.00 44.19 C ATOM 18355 CA ALQ F 5 37.023 17.885 60.039 1.00 45.38 C ATOM 18356 CM ALQ F 5 37.387 16.833 58.971 1.00 30.19 C ATOM 18357 CB ALQ F 5 35.522 17.952 60.244 1.00 38.38 C ATOM 18358 N ALA F 6 37.907 15.961 62.627 1.00 55.63 N ATOM 18360 CA ALA F 6 37.280 15.766 63.961 1.00 48.80 C ATOM 18362 CB ALA F 6 37.591 16.875 64.882 1.00 43.42 C ATOM 18366 C ALA F 6 35.791 15.554 63.915 1.00 54.73 C ATOM 18367 O ALA F 6 35.009 16.459 64.126 1.00 60.39 O ATOM 18370 N GLU F 7 35.453 14.325 63.591 1.00 61.57 N ATOM 18372 CA GLU F 7 34.181 13.687 63.917 1.00 67.60 C ATOM 18374 CB GLU F 7 34.182 12.237 63.388 1.00 70.70 C ATOM 18377 CG GLU F 7 32.813 11.775 62.910 1.00 73.43 C ATOM 18380 CD GLU F 7 32.354 10.447 63.500 1.00 77.46 C ATOM 18381 OE1 GLU F 7 32.607 10.173 64.697 1.00 77.46 O ATOM 18382 OE2 GLU F 7 31.714 9.677 62.756 1.00 78.85 O ATOM 18383 C GLU F 7 33.791 13.545 65.424 1.00 65.86 C ATOM 18384 O GLU F 7 33.074 12.629 65.731 1.00 68.96 O ATOM 18385 N PHE F 8 34.287 14.366 66.347 1.00 67.95 N ATOM 18387 CA PHE F 8 33.718 14.541 67.716 1.00 67.25 C ATOM 18389 CB PHE F 8 34.303 15.837 68.301 1.00 68.83 C ATOM 18392 CG PHE F 8 33.612 16.393 69.544 1.00 64.14 C ATOM 18393 CD1 PHE F 8 32.493 17.192 69.441 1.00 65.62 C ATOM 18395 CE1 PHE F 8 31.873 17.724 70.583 1.00 64.20 C ATOM 18397 CZ PHE F 8 32.376 17.472 71.840 1.00 63.31 C ATOM 18399 CE2 PHE F 8 33.496 16.688 71.971 1.00 65.43 C ATOM 18401 CD2 PHE F 8 34.123 16.150 70.817 1.00 66.04 C ATOM 18403 C PHE F 8 32.209 14.659 67.761 1.00 71.68 C ATOM 18404 O PHE F 8 31.610 14.612 68.854 1.00 73.64 O ATOM 18405 OXT PHE F 8 31.569 14.808 66.717 1.00 76.55 O ATOM 18406 O HOH W 1 39.700 13.653 43.690 1.00 64.49 O ATOM 18409 O HOH W 2 17.999 −0.835 18.526 1.00 57.08 O ATOM 18412 O HOH W 3 −2.213 39.679 44.264 1.00 47.81 O ATOM 18415 O HOH W 4 44.390 21.700 54.614 1.00 36.23 O ATOM 18418 O HOH W 5 44.036 10.520 13.671 1.00 20.25 O ATOM 18421 O HOH W 6 21.081 11.327 18.984 1.00 79.68 O ATOM 18424 O HOH W 7 12.954 48.886 45.723 1.00 47.92 O ATOM 18427 O HOH W 8 8.570 89.322 9.495 1.00 42.50 O ATOM 18430 O HOH W 9 25.965 −8.446 −10.244 1.00 58.04 O ATOM 18433 O HOH W 10 11.743 63.828 30.252 1.00 60.50 O ATOM 18436 O HOH W 11 −0.897 57.335 42.929 1.00 57.91 O ATOM 18439 O HOH W 12 52.750 29.899 42.854 1.00 71.96 O ATOM 18442 O HOH W 13 31.267 56.125 22.788 1.00 67.37 O ATOM 18445 O HOH W 14 −0.501 17.272 5.350 1.00 49.57 O ATOM 18448 O HOH W 15 19.139 31.098 19.928 1.00 53.73 O ATOM 18451 O HOH W 16 29.653 40.187 36.475 1.00 51.39 O ATOM 18454 O HOH W 17 1.702 54.764 31.203 1.00 59.48 O ATOM 18457 O HOH W 18 17.103 −19.576 2.357 1.00 54.90 O ATOM 18460 O HOH W 19 10.345 16.962 33.276 1.00 66.13 O ATOM 18463 O HOH W 20 9.735 17.583 −5.490 1.00 62.55 O ATOM 18466 O HOH W 21 16.189 57.395 15.723 1.00 60.50 O ATOM 18469 O HOH W 22 17.845 79.168 18.933 1.00 43.39 O ATOM 18472 O HOH W 23 26.061 −0.244 12.926 1.00 35.89 O ATOM 18475 O HOH W 24 21.349 −5.739 −14.919 1.00 60.98 O ATOM 18478 O HOH W 25 −4.354 53.549 53.329 1.00 77.11 O ATOM 18481 O HOH W 26 46.391 31.873 42.449 1.00 46.27 O ATOM 18484 O HOH W 27 5.794 14.925 30.466 1.00 56.03 O ATOM 18487 O HOH W 28 18.066 33.687 53.506 1.00 60.88 O ATOM 18490 O HOH W 29 34.788 61.731 39.462 1.00 47.79 O ATOM 18493 O HOH W 30 21.025 22.947 1.341 1.00 59.51 O ATOM 18496 O HOH W 31 16.949 23.886 38.354 1.00 45.81 O ATOM 18499 O HOH W 32 39.142 5.166 3.509 1.00 66.57 O ATOM 18502 O HOH W 33 60.666 20.142 53.793 1.00 44.92 O ATOM 18505 O HOH W 34 42.265 8.229 −0.588 1.00 60.46 O ATOM 18508 O HOH W 35 32.860 14.034 60.875 1.00 60.98 O ATOM 18511 O HOH W 36 32.941 17.022 57.493 1.00 38.19 O ATOM 18514 O HOH W 37 29.695 61.886 47.641 1.00 59.00 O ATOM 18517 O HOH W 38 33.674 −12.279 −2.746 1.00 45.53 O ATOM 18520 O HOH W 39 41.413 −14.843 19.171 1.00 65.48 O ATOM 18523 O HOH W 40 24.064 6.895 −21.588 1.00 70.17 O ATOM 18526 O HOH W 41 23.715 82.758 18.726 1.00 35.41 O ATOM 18529 O HOH W 42 47.525 −13.020 29.129 1.00 52.35 O ATOM 18532 O HOH W 43 36.969 −15.675 −0.741 1.00 53.72 O ATOM 18535 O HOH W 44 27.524 78.411 40.703 1.00 48.20 O ATOM 18538 O HOH W 45 31.107 72.075 37.162 1.00 47.99 O ATOM 18541 O HOH W 46 21.564 34.567 37.693 1.00 46.25 O ATOM 18544 O HOH W 47 21.067 71.763 21.267 1.00 39.24 O ATOM 18547 O HOH W 48 10.404 9.098 24.542 1.00 57.88 O ATOM 18550 O HOH W 49 5.396 65.013 32.485 1.00 60.14 O ATOM 18553 O HOH W 50 27.493 74.629 18.467 1.00 55.45 O ATOM 18556 O HOH W 51 13.872 41.111 47.061 1.00 42.07 O ATOM 18559 O HOH W 52 9.887 61.022 39.473 1.00 62.04 O ATOM 18562 O HOH W 53 55.509 −10.069 15.668 1.00 47.86 O ATOM 18565 O HOH W 54 37.626 42.674 24.706 1.00 67.33 O ATOM 18568 O HOH W 55 55.291 39.593 51.342 1.00 47.73 O ATOM 18571 O HOH W 56 43.917 17.193 24.624 1.00 60.60 O ATOM 18574 O HOH W 57 41.122 31.365 43.632 1.00 77.01 O ATOM 18577 O HOH W 58 13.079 35.338 39.068 1.00 88.26 O ATOM 18580 O HOH W 59 27.493 −10.186 19.656 1.00 35.50 O ATOM 18583 O HOH W 60 23.506 41.302 45.173 1.00 42.69 O ATOM 18586 O HOH W 61 −0.922 57.734 39.341 1.00 85.08 O ATOM 18589 O HOH W 62 9.888 47.144 47.199 1.00 45.05 O ATOM 18592 O HOH W 63 4.711 19.735 7.209 1.00 60.99 O ATOM 18595 O HOH W 64 20.357 53.470 8.144 1.00 51.38 O ATOM 18598 O HOH W 65 30.784 37.575 33.529 1.00 37.97 O ATOM 18601 O HOH W 66 33.822 −13.870 25.347 1.00 62.92 O ATOM 18604 O HOH W 67 31.877 −4.483 −12.266 1.00 54.62 O ATOM 18607 O HOH W 68 32.094 8.727 34.971 1.00 57.46 O ATOM 18610 O HOH W 69 22.667 29.780 32.323 1.00 51.06 O ATOM 18613 O HOH W 70 62.327 6.382 57.793 1.00 65.33 O ATOM 18616 O HOH W 71 36.357 61.805 15.075 1.00 68.60 O ATOM 18619 O HOH W 72 10.784 50.207 46.403 1.00 57.99 O ATOM 18622 O HOH W 73 34.260 6.846 −14.935 1.00 52.03 O ATOM 18625 O HOH W 74 9.575 −9.503 1.975 1.00 42.15 O ATOM 18628 O HOH W 75 20.501 19.388 34.503 1.00 63.39 O ATOM 18631 O HOH W 76 −5.681 42.903 44.382 1.00 47.81 O ATOM 18634 O HOH W 77 25.415 −23.286 11.860 1.00 36.69 O ATOM 18637 O HOH W 78 7.045 50.529 30.338 1.00 69.50 O ATOM 18640 O HOH W 79 −5.772 89.065 18.733 1.00 61.42 O ATOM 18643 O HOH W 80 14.414 64.947 12.207 1.00 64.73 O ATOM 18646 O HOH W 81 31.802 2.198 −9.686 1.00 55.42 O ATOM 18649 O HOH W 82 10.420 30.167 51.382 1.00 50.99 O ATOM 18652 O HOH W 83 15.150 −3.137 −23.038 1.00 52.37 O ATOM 18655 O HOH W 84 48.107 19.301 35.815 1.00 82.63 O ATOM 18658 O HOH W 85 −1.331 82.678 16.423 1.00 57.12 O ATOM 18661 O HOH W 86 48.215 43.713 47.628 1.00 62.68 O ATOM 18664 O HOH W 87 13.293 76.226 35.713 1.00 60.16 O ATOM 18667 O HOH W 88 42.110 −10.362 7.097 1.00 50.69 O ATOM 18670 O HOH W 89 27.827 −20.605 8.513 1.00 49.19 O ATOM 18673 O HOH W 90 55.096 10.432 53.072 1.00 53.87 O ATOM 18676 O HOH W 91 34.400 69.845 30.780 1.00 51.06 O ATOM 18679 O HOH W 92 25.651 45.557 41.010 1.00 50.02 O ATOM 18682 O HOH W 93 −4.352 46.330 53.290 1.00 47.26 O ATOM 18685 O HOH W 94 21.498 87.119 29.374 1.00 64.19 O ATOM 18688 O HOH W 95 15.571 −1.087 −19.807 1.00 72.71 O ATOM 18691 O HOH W 96 38.100 1.417 58.870 1.00 53.38 O ATOM 18694 O HOH W 97 23.613 3.572 11.202 1.00 47.48 O ATOM 18697 O HOH W 98 10.095 50.879 42.655 1.00 63.46 O ATOM 18700 O HOH W 99 15.664 −12.915 22.110 1.00 56.85 O ATOM 18703 O HOH W 100 16.817 73.724 20.533 1.00 40.32 O ATOM 18706 O HOH W 101 −2.361 88.393 14.727 1.00 69.47 O ATOM 18709 O HOH W 102 46.723 −8.667 16.202 1.00 61.97 O ATOM 18712 O HOH W 103 41.497 −4.936 5.247 1.00 35.19 O ATOM 18715 O HOH W 104 22.334 −10.122 −11.332 1.00 39.62 O ATOM 18718 O HOH W 105 27.866 33.167 19.639 1.00 47.41 O ATOM 18721 O HOH W 106 51.713 4.314 11.942 1.00 66.19 O ATOM 18724 O HOH W 107 −0.992 −3.672 8.624 1.00 33.89 O ATOM 18727 O HOH W 108 62.335 12.316 58.893 1.00 41.09 O ATOM 18730 O HOH W 109 33.491 −5.887 −10.390 1.00 41.57 O ATOM 18733 O HOH W 110 −5.756 74.126 24.837 1.00 47.70 O ATOM 18736 O HOH W 111 46.526 15.070 33.144 1.00 64.45 O ATOM 18739 O HOH W 112 18.516 31.491 45.131 1.00 66.88 O ATOM 18742 O HOH W 113 7.469 52.148 17.072 1.00 52.60 O ATOM 18745 O HOH W 114 9.252 52.803 15.021 1.00 51.30 O ATOM 18748 O HOH W 115 36.282 18.066 45.395 1.00 47.63 O ATOM 18751 O HOH W 116 17.694 −5.596 0.263 1.00 56.44 O ATOM 18754 O HOH W 117 14.604 −3.959 27.588 1.00 52.41 O ATOM 18757 O HOH W 118 56.706 25.271 55.385 1.00 50.39 O ATOM 18760 O HOH W 119 6.543 −7.728 10.215 1.00 54.60 O ATOM 18763 O HOH W 120 21.354 −20.233 10.919 1.00 52.16 O ATOM 18766 O HOH W 121 −1.214 7.759 12.883 1.00 46.46 O ATOM 18769 O HOH W 122 6.046 10.394 −13.628 1.00 49.67 O ATOM 18772 O HOH W 123 49.689 38.586 48.909 1.00 55.60 O ATOM 18775 O HOH W 124 45.493 54.453 19.719 1.00 56.14 O ATOM 18778 O HOH W 125 53.857 −1.594 17.970 1.00 47.50 O ATOM 18781 O HOH W 126 37.535 64.000 25.273 1.00 57.85 O ATOM 18784 O HOH W 127 13.976 22.044 60.248 1.00 40.96 O ATOM 18787 O HOH W 128 23.599 74.068 17.026 1.00 75.23 O ATOM 18790 O HOH W 129 18.700 59.069 48.419 1.00 50.89 O ATOM 18793 O HOH W 130 37.126 −0.022 8.701 1.00 45.81 O ATOM 18796 O HOH W 131 35.158 −8.435 3.593 1.00 49.91 O ATOM 18799 O HOH W 132 7.279 46.170 47.118 1.00 67.83 O ATOM 18802 O HOH W 133 38.706 45.973 60.559 1.00 62.46 O ATOM 18805 O HOH W 134 3.810 8.884 19.812 1.00 56.91 O ATOM 18808 O HOH W 135 30.111 19.847 28.143 1.00 63.17 O ATOM 18811 O HOH W 136 21.897 −24.638 9.123 1.00 52.08 O ATOM 18814 O HOH W 137 44.787 29.869 37.519 1.00 57.52 O ATOM 18817 O HOH W 138 16.457 45.882 14.500 1.00 50.23 O ATOM 18820 O HOH W 139 6.610 −9.081 1.907 1.00 66.14 O ATOM 18823 O HOH W 140 30.624 17.120 56.530 1.00 43.89 O ATOM 18826 O HOH W 141 24.663 54.575 7.459 1.00 75.45 O ATOM 18829 O HOH W 142 3.291 53.721 16.115 1.00 52.15 O ATOM 18832 O HOH W 143 17.798 44.614 43.412 1.00 35.28 O ATOM 18835 O HOH W 144 −3.893 63.767 39.732 1.00 57.61 O ATOM 18838 O HOH W 145 26.346 −12.103 −11.462 1.00 51.74 O ATOM 18841 O HOH W 146 25.178 37.664 46.309 1.00 42.85 O ATOM 18844 O HOH W 147 10.226 70.895 7.418 1.00 23.44 O ATOM 18847 O HOH W 148 47.426 −13.956 31.608 1.00 57.62 O ATOM 18850 O HOH W 149 42.632 40.326 64.290 1.00 46.68 O ATOM 18853 O HOH W 150 47.965 16.027 69.814 1.00 52.99 O ATOM 18856 O HOH W 151 35.258 17.505 50.695 1.00 37.18 O ATOM 18859 O HOH W 152 42.765 25.171 73.864 1.00 45.61 O ATOM 18862 O HOH W 153 17.682 37.118 60.178 1.00 48.19 O ATOM 18865 O HOH W 154 4.917 51.651 20.340 1.00 59.26 O ATOM 18868 O HOH W 155 18.284 5.065 −22.455 1.00 66.44 O ATOM 18871 O HOH W 156 48.174 37.200 72.008 1.00 51.47 O ATOM 18874 O HOH W 157 8.994 39.168 22.488 1.00 59.94 O ATOM 18877 O HOH W 158 38.685 8.951 71.019 1.00 53.48 O ATOM 18880 O HOH W 159 43.966 16.431 65.023 1.00 57.15 O ATOM 18883 O HOH W 160 45.628 3.345 77.459 1.00 52.32 O ATOM 18886 O HOH W 161 49.305 24.574 45.364 1.00 73.80 O ATOM 18889 O HOH W 162 23.302 22.739 1.013 1.00 64.58 O ATOM 18892 O HOH W 163 4.901 31.457 31.801 1.00 63.61 O ATOM 18895 O HOH W 164 35.668 9.733 38.971 1.00 57.20 O ATOM 18898 O HOH W 165 50.588 20.385 73.103 1.00 65.81 O ATOM 18901 O HOH W 166 27.437 13.505 15.130 1.00 54.05 O ATOM 18904 O HOH W 167 18.140 44.428 69.479 1.00 60.04 O ATOM 18907 O HOH W 168 20.428 61.835 21.571 1.00 50.20 O ATOM 18910 O HOH W 169 16.346 20.786 61.900 1.00 68.58 O ATOM 18913 O HOH W 170 10.022 −16.733 −3.299 1.00 45.71 O ATOM 18916 O HOH W 171 52.508 6.294 75.257 1.00 53.77 O ATOM 18919 O HOH W 172 58.749 6.101 66.320 1.00 46.84 O ATOM 18922 O HOH W 173 28.460 −0.709 0.570 1.00 49.98 O ATOM 18925 O HOH W 174 10.291 60.292 8.525 1.00 55.76 O ATOM 18928 O HOH W 175 4.095 2.945 15.154 1.00 58.94 O ATOM 18931 O HOH W 176 7.244 −13.384 −5.254 1.00 48.74 O ATOM 18934 O HOH W 177 32.377 −16.618 −4.059 1.00 44.28 O ATOM 18937 O HOH W 178 47.649 0.734 67.335 1.00 49.13 O ATOM 18940 O HOH W 179 12.789 47.261 47.980 1.00 63.48 O ATOM 18943 O HOH W 180 5.446 −15.480 −4.436 1.00 57.50 O ATOM 18946 O HOH W 181 9.087 37.020 24.095 1.00 67.94 O ATOM 18949 O HOH W 182 20.864 −8.162 29.795 1.00 49.49 O ATOM 18952 O HOH W 183 43.991 −1.427 62.252 1.00 55.02 O

Having thus described in detail preferred embodiments of the present invention, it is to be understood that the invention defined by the appended claims is not to be limited by particular details set forth in the above description as many apparent variations thereof are possible without departing from the spirit or scope thereof.

REFERENCES

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1. A catalytic domain of BACE or a form of BACE that is suitable for crystallization with the correct disulphide bonding that eliminates the need for refolding and/or an apo-BACE crystal or an apo-BACE crystal that can be soaked to give complexes and/or a crystalline form of BACE having crystals that are grown at or near the physiological pH of the enzyme or between about pH 5.6 and about pH 5.8 and/or a BACE crystal having a space group of C2 and/or a BACE crystal having cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) or 236.63 Å+3.0 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å±3.0 Å, and c=62.59 Å or 62.59 Å±standard deviation (0.2 Å) or 62.59 Å+3.0 Å and β=101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±3.0 Å, b=107.4 Å±standard deviation (0.2 Å) or 107.4 Å±3.0 Å, and c=60.4 Å or 60.4 Å±standard deviation (0.2 Å) or 60.4 Å±3.0 Å and β=101.89° or 101.89°+standard deviation (0.2°) or between 101° and 108° and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing; and/or having a space group transition from C2 to P2, together with an increase in the number of copies of the molecule in the asymmetric unit, while the cell dimensions and the packing of the P2, form are closely related to those of the C2 crystal form, on soaking the apo-BACE crystal with a ligand; and/or a BACE crystal having a resolution better than 3 Å; and/or a BACE crystal having the structure defined by the co-ordinates of Table
 5. 2. A BACE crystal having the structure defined by the co-ordinates of Table
 5. 3. An apo-BACE crystal grown at or near the physiological pH of the enzyme.
 4. An apo-BACE crystal or an apo-BACE crystal that can be soaked to give complexes.
 5. A crystalline form of BACE or a functional portion thereof having crystals that are grown at or near the physiological pH of the enzyme.
 6. The crystalline form of BACE or functional portion thereof of claim 6 wherein the crystals are grown at a pH between about pH 5.6 and about pH 5.8.
 7. A crystalline form of BACE or a functional portion thereof having a space group of C2 and cell dimensions of a=236.63 Å or 236.63 Å±standard deviation (0.2 Å) 236.63 Å±3.0 Å, b=105.02 Å or 105.02 Å±standard deviation (0.2 Å) or 105.02 Å+3.0 Å, and c=62.59 Å or 62.59 Å±standard deviation (0.2 Å) or 62.59 Å+3.0 Å and β=101.32° or 101.32°±standard deviation (0.2°) or between 101° and 108° with the asymmetric unit of the crystal containing three copies of BACE or cell dimensions a=238.3 Å or 238.3 Å±standard deviation (0.2 Å) or 238.3 Å±3.0 Å, b=107.4 Å or 107.4 Å±standard deviation (0.2 Å) or 107.4 Å+3.0 Å, and c=60.4 Å or 60.4 Å±standard deviation (0.2 Å) or 60.4 Å±3.0 Å and β=101.89° or 101.89°±standard deviation (0.2°) or between 101° and 108° and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing and/or having an X-ray diffraction pattern corresponding to or resulting from any or all of the foregoing and/or having a space group transition from C2 to P2₁ together with an increase in the number of copies of the molecule in the asymmetric unit, while the cell dimensions and the packing of the P2, form are closely related to those of the C2 crystal form, on soaking the apo-BACE crystal with a ligand.
 8. A crystalline form of BACE or a functional portion thereof that has an active site containing one or more ligands other than the natural substrate or the substrate that occurs naturally or physiologically within the active site.
 9. A method for ligand screening or identification comprising exposing the BACE crystals of any one of claims 2-8 to one or more test samples, and determining whether a ligand-BACE complex is formed.
 10. The method of claim 9 wherein the BACE protein or functional portion thereof is exposed to the test samples by co-crystallizing the BACE protein or functional portion thereof in the presence of the one or more test samples.
 11. The method of claim 9 wherein the BACE of claims 2-8 is soaked in a solution of one or more test samples.
 12. A computer-assisted method for identifying or designing potential ligands to fit within the catalytic domain of BACE or a functional portion thereof: comprising using a programmed computer comprising a processor, a data storage system, an input device, and an output device, the steps of: (a) inputting into the programmed computer through said input device data comprising the three-dimensional co-ordinates of a subset of the atoms in the BACE catalytic domain, optionally with structural information from ligand-BACE complexes, thereby generating a data set; (b) comparing, using said processor, said data set to a computer database of chemical structures stored in said computer data storage system; (c) selecting from said database, using computer methods, chemical structures having a portion that is structurally similar to said data set; (d) constructing, using computer methods, a model of a chemical structure having a portion that is structurally similar to said data set and (e) outputting to said output device the selected chemical structures having a portion similar to said data set; and optionally synthesizing one or more of the selected chemical structures; and further optionally contacting said synthesized selected chemical structure with BACE to ascertain whether said synthesized chemical structure is a ligand that fits within the catalytic domain of BACE and/or inhibits BACE; or, comprising: providing the structure of BACE as defined by the co-ordinates of Table 5, providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the structure of the BACE of Table 5; or, comprising: providing the co-ordinates of at least two atoms of Table 5 of BACE (“selected co-ordinates”), providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the selected co-ordinates of BACE; or, comprising: providing the co-ordinates of at least a sub-domain of BACE, providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the sub-domain of BACE; said method optionally further comprising: obtaining or synthesizing the chemical structure or candidate modulator and contacting the chemical structure or candidate modulator with BACE to determine the ability of the chemical structure or candidate to interact with BACE; or obtaining or synthesizing the chemical structure or candidate modulator and forming a complex of BACE and said chemical structure or candidate modulator, and analyzing the complex to determine the ability of said chemical structure or candidate modulator to interact with BACE.
 13. A compound having a chemical structure selected using the methods of claims 9-12, said compound being a modulator of BACE.
 14. A BACE protein or functional portion thereof comprising amino acid sequences of the catalytic domain that crystallize to the crystalline structure of claim 7, or to a structure that mimics that crystalline structure.
 15. A BACE protein or functional portion thereof which, when compared to wild-type BACE or BACE of Genbank accession P56817 has one or more mutations or truncations to prevent glycosylation or facilitate crystallization and/or the growth of ordered, well-diffracting crystals.
 16. The BACE protein or functional portion thereof of claim 15, which when compared with Genbank accession P56817 has one or more of: a mutation at amino acid (“aa”) 153, a mutation at aa 172, a mutation at aa 223, a mutation at aa 354, and one or more truncations.
 17. The BACE protein or functional portion thereof of claim 16 wherein each of the mutations is asparagine to glutamine.
 18. The BACE protein or functional portion thereof of claim 16 wherein the truncation results in a BACE extending from Thr 22 to Ser 453, with reference to Genbank Accession P56817.
 19. The BACE protein or functional portion thereof of claim 16 wherein all of the mutations are present and each is asparagine to glutamine and there is a truncation resulting in a BACE extending from Thr 22 to Ser 453, with reference to Genbank Accession P56817.
 20. The BACE protein or functional portion thereof of any one of claims 14-19 further including any one or more of: a tag to facilitate purification; a non-BACE signal sequence to facilitate or increase secretion of the protein into cell culture medium; and a tag to allow differentiation of species arising from incomplete pro-peptide cleavage.
 21. The BACE protein or functional portion thereof of claim 20 wherein the tag to facilitate purification is a HIS tag, the non-BACE signal sequence is a baculovirus signal sequence, and the tag to allow differentiation of species is a FLAG tag.
 22. The BACE protein or functional portion thereof of claim 21 wherein all of the tag to facilitate purification, the non-BACE signal sequence and the tag to allow differentiation are present.
 23. A BACE protein or functional portion thereof containing any one or more of: a tag to facilitate purification; a non-BACE signal sequence to facilitate or increase secretion of the protein into cell culture medium; and a tag to allow differentiation of species arising from incomplete pro-peptide cleavage.
 24. The BACE protein or functional portion thereof of claim 23 wherein the tag to facilitate purification is a HIS tag, the non-BACE signal sequence is a baculovirus signal sequence, and the tag to allow differentiation of species is a FLAG tag.
 25. The BACE protein or functional portion thereof of claim 24 wherein all of the tag to facilitate purification, the non-BACE signal sequence and the tag to allow differentiation are present.
 26. An isolated nucleic acid molecule encoding a BACE protein or functional portion thereof of any of claims 14-25 or a functional portion thereof.
 27. The isolated nucleic acid molecule of claim 26 that has a reduced GC content via silent mutations from nucleotide sequences derived from wild-type BACE that would also encode the BACE protein.
 28. A vector or cell comprising or expressing the nucleic acid molecule of claim
 26. 29. A vector or cell comprising or expressing the nucleic acid molecule of claim
 27. 30. The vector or cell of claim 28 which is a viral vector or a bacterial vector or a mammalian cell or a DNA plasmid.
 31. The vector or cell of claim 29 which is a viral vector or a bacterial vector or a mammalian cell or a DNA plasmid.
 32. The vector or cell of claims 30 or 31 which is a baculovirus vector or an insect cell.
 33. The vector or cell of claim 26 further including a nucleic acid molecule encoding an enhancer that enhances in the particular vector or cell system the total amount of BACE produced and/or increases the fraction of processed protein.
 34. The vector or cell of claim 27 further including a nucleic acid molecule encoding an enhancer that enhances in the particular vector or cell system the total amount of BACE produced and/or increases the fraction of processed protein.
 35. The vector or cell of claims 33 or 34 wherein the enhancer is a prohormone convertase.
 36. The vector or cell of claim 35 wherein the prohormone convertase is furin.
 37. A vector or cell comprising a nucleic acid molecule encoding a BACE protein or functional portion thereof and a nucleic acid molecule encoding an enhancer that enhances in the particular vector or cell system the total amount of BACE produced and/or increases the fraction of processed protein.
 38. The vector or cell of claim 37 wherein the enhancer is a prohormone convertase.
 39. A kit for producing the vector or cell of claim 37 containing separately packaged nucleic acid molecules comprising (i) a BACE-protein encoding nucleic acid molecule and (ii) a nucleic acid molecule encoding the enhancer.
 40. A method for obtaining a BACE protein comprising expressing a nucleic acid molecule according to any of claims 26 or 27 or the nucleic acid molecule of the vector or cell of any of claims 28 to 34 or
 37. 41. A method for obtaining a BACE protein comprising expressing the nucleic acid molecule of the vector or cell of claim comprising expressing in a vector or cell the nucleic acid molecules of the kit of claim
 39. 42. A method for crystallizing a BACE protein or functional portion thereof comprising dissolving a BACE protein according to any one of claims 14-25 in a suitable solvent and crystallizing the same either in the presence or absence of an inhibitor; wherein said method optionally further includes producing the BACE recombinantly or by expression thereof by a vector, recovering the BACE so produced, and growing crystals from the recovered BACE.
 43. The method of claim 42 wherein the inhibitor is OM99-2.
 44. A method for determining the crystal structure of a BACE protein or functional portion thereof comprising obtaining crystals of a BACE protein according to any one of claims 14-25 and obtaining an x-ray diffraction pattern thereof.
 45. A method for ligand screening and design or identification comprising exposing the BACE crystals of a BACE protein or functional portion thereof to one or more test samples, and determining whether a ligand-BACE complex is formed; wherein the BACE or functional portion thereof has an unoccupied active site and is as claimed in any one of claims 5-8.
 46. The method of claim 45 wherein the BACE is exposed to the test samples by either co-crystallizing the BACE or functional portion thereof in the presence of the one or more test samples or soaking the BACE or a functional portion thereof in a solution of one or more test samples.
 47. A computer-assisted method for identifying or designing potential ligands to fit within the catalytic domain of BACE or a functional portion thereof: comprising using a programmed computer comprising a processor, a data storage system, an input device, and an output device, the steps of: (a) inputting into the programmed computer through said input device data comprising the three-dimensional co-ordinates of a subset of the atoms in the BACE catalytic domain or functional portion thereof of any one of claims 5-8, optionally with structural information from ligand-BACE complexes, thereby generating a data set; (b) comparing, using said processor, said data set to a computer database of chemical structures stored in said computer data storage system; (c) selecting from said database, using computer methods, chemical structures having a portion that is structurally similar to said data set; (d) constructing, using computer methods, a model of a chemical structure having a portion that is structurally similar to said data set and (e) outputting to said output device the selected chemical structures having a portion similar to said data set; and optionally synthesizing one or more of the selected chemical structures; and further optionally contacting said synthesized selected chemical structure with BACE to ascertain whether said synthesized chemical structure is a ligand that fits within the catalytic domain of BACE and/or inhibits BACE; or, comprising: providing the structure of BACE as defined by the co-ordinates of Table 5, providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the structure of the BACE of Table 5; or, comprising: providing the co-ordinates of at least two atoms of Table 5 of BACE (“selected co-ordinates”), providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the selected co-ordinates of BACE; or, comprising: providing the co-ordinates of at least a sub-domain of BACE, providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the sub-domain of BACE; said method optionally further comprising: obtaining or synthesizing the chemical structure or candidate modulator and contacting the chemical structure or candidate modulator with BACE to determine the ability of the chemical structure or candidate to interact with BACE; or obtaining or synthesizing the chemical structure or candidate modulator and forming a complex of BACE and said chemical structure or candidate modulator, and analyzing the complex to determine the ability of said chemical structure or candidate modulator to interact with BACE.
 48. A ligand identified in any of the methods of claims 45-47.
 49. An assay comprising a BACE protein or functional portion thereof of any one of claims 14-25, and means to determine whether a compound is a modulator of BACE.
 50. An antibody elicited by a BACE protein or functional portion thereof of any one of claims 14-25.
 51. An inhibitor of a BACE protein or functional portion thereof of any one of claims 14-25.
 52. A composition comprising the inhibitor of claim
 51. 53. A composition comprising the ligand of claim
 48. 54. A composition comprising the ligand of claim
 13. 55. A composition comprising a product from the assay of claim
 49. 56. A method for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof comprising administering an inhibitor of a BACE protein or functional portion thereof as claimed in claim
 51. 57. A method for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof comprising administering a ligand of claim
 13. 58. A method for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof comprising administering a ligand of claim
 48. 59. A BACE which comprises an amino acid sequence of SEQ ID 31 or an amino acid sequence having greater than 98.8% identity with SEQ ID
 31. 60. The BACE of claim 59 having the amino acid sequence of SEQ ID
 31. 61. A nucleic acid molecule encoding the BACE of claim 59 or
 60. 62. An isolated nucleic acid molecule comprising a sequence of SEQ ID 32 or encoding a polypeptide sequence of SEQ ID 72 or a sequence having greater than 95.6% identity with SEQ ID 32 or the nucleic acid encoding a polypeptide sequence of SEQ ID
 72. 63. The isolated nucleic acid molecule of claim 62 having the sequence of SEQ ID
 32. 64. The isolated nucleic acid molecule of claim 63 encoding a polypeptide sequence of SEQ ID
 72. 65. A vector or cell comprising the isolated nucleic acid molecule of any one of claims 62-64.
 66. The vector or cell of claim 65 which is a baculovirus vector or an insect cell.
 67. An inhibitor of the BACE of any one of claims 59 or
 60. 68. An antibody elicited by the BACE of any one of claims 59 or
 60. 69. A method for ligand screening and design or identification comprising exposing the BACE crystals of a BACE protein or functional portion thereof to one or more test samples, and determining whether a ligand-BACE complex is formed; wherein the BACE or functional portion thereof has an unoccupied active site and is as claimed in any one of claims 59 or
 60. 70. The method of claim 69 wherein the BACE is exposed to the test samples by either co-crystallizing the BACE or functional portion thereof in the presence of the one or more test samples or soaking the BACE or a functional portion thereof in a solution of one or more test samples.
 71. A computer-assisted method for identifying or designing potential ligands to fit within the catalytic domain of BACE or a functional portion thereof: comprising using a programmed computer comprising a processor, a data storage system, an input device, and an output device, the steps of: (a) inputting into the programmed computer through said input device data comprising the three-dimensional co-ordinates of a subset of the atoms in the BACE catalytic domain or functional portion thereof of any one of claims 59 or 60, optionally with structural information from ligand-BACE complexes, thereby generating a data set; (b) comparing, using said processor, said data set to a computer database of chemical structures stored in said computer data storage system; (c) selecting from said database, using computer methods, chemical structures having a portion that is structurally similar to said data set; (d) constructing, using computer methods, a model of a chemical structure having a portion that is structurally similar to said data set and (e) outputting to said output device the selected chemical structures having a portion similar to said data set; and optionally synthesizing one or more of the selected chemical structures; and further optionally contacting said synthesized selected chemical structure with BACE to ascertain whether said synthesized chemical structure is a ligand that fits within the catalytic domain of BACE and/or inhibits BACE; or, comprising: providing the structure of BACE as defined by the co-ordinates of Table 5, providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the structure of the BACE of Table 5; or, comprising: providing the co-ordinates of at least two atoms of Table 5 of BACE (“selected co-ordinates”), providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the selected co-ordinates of BACE; or, comprising: providing the co-ordinates of at least a sub-domain of BACE, providing the structure of a candidate modulator molecule, and fitting the structure of the candidate to the sub-domain of BACE; said method optionally further comprising: obtaining or synthesizing the chemical structure or candidate modulator and contacting the chemical structure or candidate modulator with BACE to determine the ability of the chemical structure or candidate to interact with BACE; or obtaining or synthesizing the chemical structure or candidate modulator and forming a complex of BACE and said chemical structure or candidate modulator, and analyzing the complex to determine the ability of said chemical structure or candidate modulator to interact with BACE.
 72. A ligand identified in any of the methods of claims 68-71.
 73. An assay comprising a BACE protein or functional portion thereof of any one of claims 58 or 59, and means to determine whether a compound is a modulator of BACE.
 74. A composition comprising the inhibitor of claim
 67. 75. A composition comprising the ligand of claim
 72. 76. A composition comprising a product from the assay of claim
 73. 77. A method for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof comprising administering an inhibitor of a BACE protein or functional portion thereof as claimed in claim
 67. 78. A method for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof comprising administering a ligand of claim
 72. 79. Use of an inhibitor of a BACE protein or functional portion thereof as claimed in claim 51 for preparing a composition or medicament for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof.
 80. Use of an inhibitor of a BACE protein or functional portion thereof as claimed in claim 13 for preparing a composition or medicament for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof.
 81. Use of an inhibitor of a BACE protein or functional portion thereof as claimed in claim 48 for preparing a composition or medicament for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof.
 82. Use of an inhibitor of a BACE protein or functional portion thereof as claimed in claim 51 for use in therapy.
 83. Use of an inhibitor of a BACE protein or functional portion thereof as claimed in claim 67 for preparing a composition or medicament for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof.
 84. Use of an inhibitor of a BACE protein or functional portion thereof as claimed in claim 72 for preparing a composition or medicament for inhibiting BACE or the production of Aβ or fragments thereof or treating AD in an individual in need thereof.
 85. A computer system for generating structures or performing rational compound or drug design for BACE or complexes of BACE with a potential modulator, the system containing either: atomic co-ordinate data according to Table 5, said data defining the three-dimensional structure of BACE or at least one sub-domain thereof, or structure factor data for BACE, said structure factor data being derivable from the atomic co-ordinate data of Table
 5. 86. A computer readable media with either: atomic co-ordinate data according to Table 5, said data defining the three-dimensional structure of BACE or at least one sub-domain thereof, or structure factor data for BACE, said structure factor data being derivable from the atomic co-ordinate data of Table
 5. 87. A method of doing business comprising providing to a user the computer system of claim 85 or the computer readable media of claim 83 or the three-dimensional structure of BACE or at least one sub-domain thereof, or structure factor data for BACE, said structure factor data being derivable from the atomic co-ordinate data of Table
 5. 